Sugi Predict

Sugi Predict / Compounds / SCHEMBL171627

SCHEMBL171627

SCHEMBL171627

Cc1ccc2[nH]c(C(F)(F)F)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.60
▸ MAPT P10636 5/20 0.60
▸ HPGD P15428 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.58
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KIF11 P52732 2/20 0.45
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPBWR1 P48145 1/20 0.41
▸ GAA P10253 2/20 0.40

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
SCHEMBL436153 0.86 ALDH1A1 (0.63) KDM4EMAPTHPGDPOLBNPSR1
SCHEMBL14601538 0.85 KMT2A (0.43) KDM4EMAPTHPGDPOLBNPSR1
SCHEMBL10005347 0.84 ALDH1A1 (0.46) KDM4EMAPTHPGDPOLBNPSR1
SCHEMBL4349193 0.82 KMT2A (0.41) KDM4EMAPTHPGDPOLBNPSR1
SCHEMBL1129051 0.81 KMT2A (0.40) KDM4EMAPTHPGDPOLBNPSR1
SCHEMBL5681855 0.80 NPSR1 (0.59) KDM4EMAPTHPGDPOLBNPSR1
SCHEMBL13483956 0.79 NPSR1 (0.54) KDM4EMAPTHPGDPOLBNPSR1
SCHEMBL9866407 0.79 NPSR1 (0.58) KDM4EMAPTHPGDPOLBNPSR1
SCHEMBL1284461 0.79 NPSR1 (0.58) KDM4EMAPTHPGDPOLBNPSR1
SCHEMBL1131972 0.79 MAPT (0.73) KDM4EMAPTHPGDPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 — — EP disclosed
CN-105237480-B A kind of 2 trifluoro methyl benzimidazole compounds and preparation method thereof 三峡大学 2017-12-05 — — CN disclosed
US-9199937-B2 Substituted quinolines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-01 — — US disclosed
US-20150065489-A1 Substituted Quinolines and Their Use As Medicaments BOEHRINGER INGELHEIM INT (DE) 2015-03-05 — — US disclosed
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-8754097-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-06-17 — — US disclosed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 — — US disclosed
WO-2013014060-A1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 — — WO disclosed
US-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 — — US disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 — — US disclosed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 — — US disclosed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 — — US disclosed
US-20100203650-A1 BIOMOLECULE BINDING LIGANDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-08-12 — — US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 — — US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 — — US disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 — — US disclosed
WO-2009046841-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS MERCK PATENT GMBH (DE) 2009-04-16 — — WO disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 — — US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 — — US 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-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 KDM4E 1517/4885MAPT 4469/4885HPGD 195/4885
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 KDM4E 1517/4885MAPT 4469/4885HPGD 195/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 KDM4E 420/4885MAPT 4703/4885HPGD 1693/4885
US-20100203650-A1 BIOMOLECULE BINDING LIGANDS C3AR1, GRB7, C1R KDM4E 4316/4885MAPT 4416/4885HPGD 3977/4885
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS CCNI, MKI67, CCNA1 KDM4E 783/4885MAPT 4431/4885HPGD 338/4885
US-20150065489-A1 Substituted Quinolines and Their Use As Medicaments QARS1, RECQL, CYP3A7 KDM4E 2395/4885MAPT 3662/4885HPGD 973/4885

“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.