SCHEMBL3755589

SCHEMBL3755589

Cc1c[nH]nc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
MAP3K14 Q99558 1/20 0.41
ERBB2 P04626 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL6850964 0.83 MEN1 (0.48) ERBB2DCUN1D1LMNAHPGDMAPK1
SCHEMBL14572024 0.81 ERBB2 (0.46) ERBB2LMNATP53HPGDKDM4E
SCHEMBL15741508 0.80 NPC1 (0.43) IKBKBERBB2KDM4EMETAP2
SCHEMBL3160320 0.80 MAPK14 (0.42) ERBB2GAATP53HSD17B10HTR2A
SCHEMBL13363877 0.80 ERBB2 (0.39) ERBB2GAAHPGD
SCHEMBL11624252 0.79 ALDH1A1 (0.47) IKBKBHPGDNOTUMAPOBEC3G
SCHEMBL8431445 0.79 ERBB2 (0.43) ERBB2DCUN1D1LMNAGAAHTR2A
SCHEMBL2449809 0.79 ALOX15 (0.48) LMNAGAAHPGDALOX15HSD17B10
SCHEMBL5223142 0.78 MEN1 (0.53) LMNAGAAHPGDMAPK1CCNB2
SCHEMBL6846877 0.78 IKBKE (0.46) GAANOTUMHTR7APOBEC3GMGAM

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181133-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2019-07-24 EP disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
WO-2017139689-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 WO disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
EP-3181133-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS Pfizer Inc (US) 2017-06-21 EP disclosed
EP-2654750-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2017-03-08 EP disclosed
US-8759539-B2 Substituted bicyclic amines for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8759539-B2 Substituted bicyclic amines for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20110207737-A1 SUBSTITUTED BICYCLIC AMINES FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP 2011-08-25 US disclosed
US-20110207737-A1 SUBSTITUTED BICYCLIC AMINES FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP 2011-08-25 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
WO-2010056717-A1 SUBSTITUTED BICYCLIC AMINES FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2010-05-20 WO disclosed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 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 (4 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 IKBKB 304/4885MAP3K14 4183/4885ERBB2 3942/4885
US-20110207737-A1 SUBSTITUTED BICYCLIC AMINES FOR THE TREATMENT OF DIABETES SSTR5, TAAR5, MC5R IKBKB 1754/4885MAP3K14 3021/4885ERBB2 257/4885
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 IKBKB 2279/4885MAP3K14 1914/4885ERBB2 522/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT IKBKB 3462/4885MAP3K14 2443/4885ERBB2 4816/4885

“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.