SCHEMBL2894809

SCHEMBL2894809

S=C(Nc1ccccn1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 7/20 1.00
NPSR1 Q6W5P4 6/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
ALDH1A1 P00352 5/20 1.00
MAPT P10636 4/20 1.00
ATG4B Q9Y4P1 3/20 1.00
HPGD P15428 3/20 1.00
PKM P14618 3/20 1.00
GAA P10253 3/20 1.00
KDM4E B2RXH2 2/20 1.00
TP53 P04637 2/20 1.00
HSD17B10 Q99714 2/20 1.00
NFKB1 P19838 2/20 1.00
NFKB2 Q00653 2/20 1.00
RELA Q04206 2/20 1.00
KMT2A Q03164 3/20 0.68
CCR6 P51684 1/20 0.68
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30661048 1.00 RAB9A (1.00) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL26677841 0.98 RAB9A (0.96) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
Bromide SCHEMBL26677852 0.98 RAB9A (0.96) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL26677838 0.98 RAB9A (0.96) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
Oxalic Acid SCHEMBL26677840 0.92 NPC1 (0.84) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
Phosphoric Acid SCHEMBL26677843 0.92 NPC1 (0.84) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
Sulfuric Acid SCHEMBL26677844 0.92 NPC1 (0.84) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL26677848 0.90 NPC1 (0.81) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL26677839 0.90 NPC1 (0.81) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
Fumaric Acid SCHEMBL26677847 0.87 NPC1 (0.77) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12576088-B2 Methods for enhancing cytotoxic cancer therapy through inhibition of ATG4B NORTHWESTERN UNIVERSITY (US) 2026-03-17 US claimed
US-20240066035-A1 Methods for Enhancing Cytotoxic Cancer Therapy Through Inhibition of ATG4B NORTHWESTERN UNIVERSITY 2024-02-29 US claimed
CN-117137914-A Use of N- (pyridin-2-yl) pyridine-2-thioamides or salts thereof in the preparation of anti-hypoxic drugs 中国人民解放军军事科学院军事医学研究院 2023-12-01 CN claimed
WO-2023226614-A1 USE OF N-(PYRIDIN-2-YL)PYRIDINE-2-THIOAMIDE OR SALT THEREOF IN PREPARATION OF ANTI-HYPOXIC MEDICAMENT 中国人民解放军军事科学院军事医学研究院 2023-11-30 WO claimed
US-11793816-B2 Methods for enhancing cytotoxic cancer therapy through inhibition of ATG4B NORTHWESTERN UNIVERSITY (US) 2023-10-24 US claimed
US-20220323376-A1 METHODS AND COMPOSITIONS FOR SENSITIZING CANCER CELLS TO DRUG-INDUCED APOPTOSIS NEW YORK UNIVERSITY 2022-10-13 US claimed
US-20210069202-A1 METHODS FOR ENHANCING CYTOTOXIC CANCER THERAPY THROUGH INHIBITION OF ATG4B NORTHWESTERN UNIVERSITY 2021-03-11 US claimed
WO-2020223609-A1 METHODS AND COMPOSITIONS FOR SENSITIZING CANCER CELLS TO DRUG-INDUCED APOPTOSIS NEW YORK UNIVERSITY (US) 2020-11-05 WO claimed
EP-3523274-A1 FORMULATIONS FOR ADMINISTRATION OF EFLORNITHINE Orbus Therapeutics, Inc. (US) 2019-08-14 EP claimed
US-20190133985-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS, INCLUDING GLIOMAS Orbus Therapeutics, Inc. 2019-05-09 US claimed
US-20190091187-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS INCLUDING GLIOMAS Orbus Therapeutics, Inc. (US) 2019-03-28 US claimed
EP-3432872-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS, INCLUDING GLIOMAS Orbus Therapeutics, Inc. (US) 2019-01-30 EP claimed
WO-2018067401-A1 FORMULATIONS FOR ADMINISTRATION OF EFLORNITHINE Orbus Therapeutics, Inc. (US) 2018-04-12 WO claimed
US-20170273926-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS, INCLUDING GLIOMAS Orbus Therapeutics, Inc. 2017-09-28 US claimed
WO-2017165187-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS, INCLUDING GLIOMAS Orbus Therapeutics, Inc. (US) 2017-09-28 WO claimed
US-8545841-B2 Methods and compositions for the treatment of cancers and pathogenic infections UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-10-01 US claimed
US-20100285012-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCERS AND PATHOGENIC INFECTIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2010-11-11 US claimed
WO-2009089147-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCERS AND PATHOGENIC INFECTIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-07-16 WO claimed
US-12576088-B2 Methods for enhancing cytotoxic cancer therapy through inhibition of ATG4B NORTHWESTERN UNIVERSITY (US) 2026-03-17 US disclosed
WO-2009089147-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCERS AND PATHOGENIC INFECTIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190091187-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS INCLUDING GLIOMAS AHCY, SRM, SHMT1 RAB9A 1592/4885NPC1 1213/4885NPSR1 4721/4885
US-20240066035-A1 Methods for Enhancing Cytotoxic Cancer Therapy Through Inhibition of ATG4B ATG4B, ATG4A, ATG7 RAB9A 494/4885NPC1 543/4885NPSR1 4664/4885
US-20210069202-A1 METHODS FOR ENHANCING CYTOTOXIC CANCER THERAPY THROUGH INHIBITION OF ATG4B ATG4B, ATG4A, ATG7 RAB9A 494/4885NPC1 543/4885NPSR1 4664/4885
US-20220323376-A1 METHODS AND COMPOSITIONS FOR SENSITIZING CANCER CELLS TO DRUG-INDUCED APOPTOSIS MCL1, BAX, CASP3 RAB9A 3420/4885NPC1 1422/4885NPSR1 4487/4885
US-11793816-B2 Methods for enhancing cytotoxic cancer therapy through inhibition of ATG4B ATG4B, ATG4A, ATG7 RAB9A 494/4885NPC1 543/4885NPSR1 4664/4885
US-20190133985-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS, INCLUDING GLIOMAS AHCY, SRM, MAT2A RAB9A 1629/4885NPC1 1117/4885NPSR1 4657/4885
US-12576088-B2 Methods for enhancing cytotoxic cancer therapy through inhibition of ATG4B ATG4B, ATG4A, ATG7 RAB9A 436/4885NPC1 752/4885NPSR1 4741/4885
US-20170273926-A1 COMPOSITIONS AND METHODS FOR USE OF EFLORNITHINE AND DERIVATIVES AND ANALOGS THEREOF TO TREAT CANCERS, INCLUDING GLIOMAS AHCY, SRM, SHMT1 RAB9A 1589/4885NPC1 1166/4885NPSR1 4730/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.