SCHEMBL1456985

SCHEMBL1456985

c1ccc(-c2ccc(-c3ccccn3)nn2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
HTT P42858 5/20 1.00
LMNA P02545 4/20 1.00
TP53 P04637 4/20 1.00
ALOX15 P16050 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
ALDH1A1 P00352 1/20 1.00
PKM P14618 1/20 1.00
HPGD P15428 1/20 1.00
HSD17B10 Q99714 1/20 1.00
CCR1 P32246 3/20 0.78
CCR5 P51681 3/20 0.78
CCR8 P51685 3/20 0.78
CYP1A2 P05177 1/20 0.78
POLB P06746 1/20 0.78
METAP1 P53582 1/20 0.78
BLM P54132 1/20 0.78

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
SCHEMBL30211369 1.00 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL1456153 1.00 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL4189211 0.97 KDM4E (0.95) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL4174742 0.97 KDM4E (0.95) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL4178522 0.97 KDM4E (0.95) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL4181725 0.93 KDM4E (0.86) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL3753259 0.91 KDM4E (0.82) KDM4ENPC1RAB9ASMN1; SMN2HTT
SCHEMBL3755174 0.91 KDM4E (0.82) KDM4ENPC1RAB9ASMN1; SMN2HTT
Dipyridyl SCHEMBL3711450 0.88 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2HTT
Dipyridyl SCHEMBL29907716 0.88 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101177-A1 pH AND LIGHT ACTIVATED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2016-04-14 US claimed
US-20090036418-A1 Pharmaceutical composition for treatment of cancer containing pyridylpyridazine or transition metal complex thereof as active ingredient INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY, THE (KR) 2009-02-05 US claimed
WO-2007007943-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OF CANCER COMPRISING PYRIDYLPYRIDAZINE COMPOUNDS OR THEIR TRANSITION METAL COMPLEXES THE INDUSTRY AND ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC) (KR) 2007-01-18 WO claimed
US-20230279019-A1 BENZONORBORNADIENE DERIVATIVES AND REACTIONS THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION 2023-09-07 US disclosed
US-11560384-B2 Benzonorbornadiene derivatives and reactions thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2023-01-24 US disclosed
US-20210164005-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY UNIVERSITY OF DELAWARE (US) 2021-06-03 US disclosed
US-10875840-B2 Methods for inducing bioorthogonal reactivity UNIVERSITY OF DELAWARE (US) 2020-12-29 US disclosed
US-20190300539-A1 Benzonorbornadiene Derivatives and Reactions Thereof UNIVERSITY OF UTAH 2019-10-03 US disclosed
US-9731001-B2 Three-dimensional cavities of dendritic cell immunoreceptor (DCIR), compounds binding thereto and therapeutic applications related to inhibition of human immunodeficiency virus type-1 (HIV-1) UNIVERSITE LAVAL (CA) 2017-08-15 US disclosed
US-9731001-B2 Three-dimensional cavities of dendritic cell immunoreceptor (DCIR), compounds binding thereto and therapeutic applications related to inhibition of human immunodeficiency virus type-1 (HIV-1) UNIVERSITE LAVAL (CA) 2017-08-15 US disclosed
US-9731001-B2 Three-dimensional cavities of dendritic cell immunoreceptor (DCIR), compounds binding thereto and therapeutic applications related to inhibition of human immunodeficiency virus type-1 (HIV-1) UNIVERSITE LAVAL (CA) 2017-08-15 US disclosed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
US-5099019-A Central nervous system steroid derivative drugs UPJOHN COMPANY (US) 1992-03-24 US disclosed
US-4996318-A Amino-9,10-secosteroids useful for treating head injury, spinal cord trauma or stroke THE UPJOHN COMPANY (US) 1991-02-26 US disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
EP-0354920-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1990-02-21 EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 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 (6 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-20190300539-A1 Benzonorbornadiene Derivatives and Reactions Thereof CBR3, CBR1, CNR1 KDM4E 2364/4885NPC1 2898/4885RAB9A 740/4885
US-20160101177-A1 pH AND LIGHT ACTIVATED ANTI-CANCER DRUGS CA2, CA6, NFATC1 KDM4E 3373/4885NPC1 4495/4885RAB9A 326/4885
US-20230279019-A1 BENZONORBORNADIENE DERIVATIVES AND REACTIONS THEREOF CBR3, CBR1, CNR1 KDM4E 2296/4885NPC1 3409/4885RAB9A 648/4885
US-11560384-B2 Benzonorbornadiene derivatives and reactions thereof CBR3, CBR1, CNR1 KDM4E 2364/4885NPC1 2898/4885RAB9A 740/4885
US-10875840-B2 Methods for inducing bioorthogonal reactivity CBR1, CBR3, DUOX1 KDM4E 3543/4885NPC1 4645/4885RAB9A 3957/4885
US-20090036418-A1 Pharmaceutical composition for treatment of cancer containing pyridylpyridazine or transition metal complex thereof as active ingredient CA5A, PDCD11, PDCD1 KDM4E 1038/4885NPC1 4803/4885RAB9A 4415/4885

“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.