SCHEMBL2968032

SCHEMBL2968032

N=C(N)c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.58
TSHR P16473 1/20 0.52
SRD5A2 P31213 1/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
HPGD P15428 3/20 0.49
MAPT P10636 2/20 0.49

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
Hydrochloric Acid SCHEMBL3102294 0.98 PLAU (0.57) PLAUALDH1A1MAPK1TSHRSRD5A2
SCHEMBL20572734 0.88 TSHR (0.67) PLAUTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7076662 0.80 ALDH1A1 (0.72) ALDH1A1TSHRNPC1RAB9ACYP3A4
SCHEMBL57650 0.80 TSHR (0.79) ALDH1A1MAPK1TSHRSRD5A2NPC1
SCHEMBL3374235 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1TSHRSRD5A2NPC1
Hydrochloric Acid SCHEMBL5013416 0.78 TSHR (0.76) ALDH1A1MAPK1TSHRSRD5A2NPC1
Hydrochloric Acid SCHEMBL30589973 0.78 TSHR (0.76) ALDH1A1MAPK1TSHRSRD5A2NPC1
SCHEMBL1581084 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1TSHRSRD5A2NPC1
SCHEMBL15139107 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1TSHRSRD5A2NPC1
SCHEMBL1581083 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1TSHRSRD5A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021099518-A1 NOVEL COMPOUNDS FOR THE DIAGNOSIS, TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH THE AGGREGATION OF ALPHA-SYNUCLEIN MODAG GMBH (DE) 2021-05-27 WO disclosed
EP-3409668-B1 NOVEL IMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF SAMJIN PHARM CO LTD (KR) 2020-10-21 EP disclosed
US-10301291-B2 Imidazole derivative having JNK inhibitory activity and use thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2019-05-28 US disclosed
US-10301291-B2 Imidazole derivative having JNK inhibitory activity and use thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2019-05-28 US disclosed
US-20190031645-A1 NOVEL IMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2019-01-31 US disclosed
US-20190031645-A1 NOVEL IMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2019-01-31 US disclosed
EP-3409668-A1 NOVEL IMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2018-12-05 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-20150080380-A1 Therapeutic Uses GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-03-19 US disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 WO disclosed
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
EP-0934283-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-08-11 EP disclosed
WO-1998005652-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-12 WO disclosed
US-5190589-A Compounds and process preparing a substituted or an unsubstituted 4(5)-(ω-aminoalkyl)imidazole CEDONA PHARMACEUTICALS B.V. (NL) 1993-03-02 US disclosed
EP-0415948-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-($g(v)-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1991-03-13 EP disclosed
WO-1989010360-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-(omega-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1989-11-02 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 (5 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-20190031645-A1 NOVEL IMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF MAPKAPK2, MAPKAPK3, MAP3K7 PLAU 3418/4885ALDH1A1 3644/4885MAPK1 31/4885
US-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 PLAU 1790/4885ALDH1A1 152/4885MAPK1 411/4885
US-10301291-B2 Imidazole derivative having JNK inhibitory activity and use thereof MAPKAPK2, MAPKAPK3, MAP3K7 PLAU 3111/4885ALDH1A1 3334/4885MAPK1 32/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR PLAU 3451/4885ALDH1A1 1086/4885MAPK1 1628/4885
US-20150080380-A1 Therapeutic Uses HRH3, HRH4, HRH2 PLAU 2047/4885ALDH1A1 2199/4885MAPK1 4497/4885

“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.