SCHEMBL95425

SCHEMBL95425

[c]1c(-c2cccc3[nH]nnc23)ccc2c1[nH]c1ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GPR3 P46089 1/20 0.33
KIF11 P52732 1/20 0.31
CA5A P35218 1/20 0.31
AHR P35869 1/20 0.30
PARP1 P09874 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
GABRA1 P14867 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30

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
SCHEMBL20841423 0.77 BCHE (0.48) BCHEALDH1A1HSD17B10GPR3KIF11
SCHEMBL768750 0.76 GABRP (0.46) BCHEALDH1A1HSD17B10GPR3KIF11
SCHEMBL30556736 0.71 METAP2 (0.38) ALDH1A1HSD17B10KDM4EMEN1CYP1A2
SCHEMBL31619990 0.71 METAP2 (0.38) ALDH1A1HSD17B10KDM4EMEN1CYP1A2
SCHEMBL1726238 0.71 IDO1 (0.49) ALDH1A1HSD17B10GPR3KDM4ECYP1A2
SCHEMBL1323291 0.70 ESR1 (0.47) ALDH1A1HSD17B10GPR3KIF11AHR
SCHEMBL2649214 0.70
SCHEMBL15430824 0.69 GABRP (0.51) ALDH1A1HSD17B10GPR3KIF11AHR
SCHEMBL17145024 0.69 BCHE (0.41) BCHEALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL18035101 0.69 ALDH1A1 (0.36) ALDH1A1HSD17B10GPR3KIF11CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2923703-B1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIO INC (US) 2018-09-19 EP disclosed
US-9221798-B2 4-substituted-(3-substituted-1H-pyrazole-5-amino)-pyrimidine derivatives having activity of inhibiting protein kinase and use thereof Zhejian Hisun Pharmaceutical Co., Ltd. (CN) 2015-12-29 US disclosed
EP-2923703-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS Abraxis BioScience, Inc. (US) 2015-09-30 EP disclosed
EP-2425840-B1 Triazine derivatives and their therapeutical applications ABRAXIS BIOSCIENCE INC (US) 2015-04-08 EP disclosed
US-20140378488-A1 4-SUBSTITUTED-(3-SUBSTITUTED-1H-PYRAZOLE-5-AMINO)-PYRIMIDINE DERIVATIVES HAVING ACTIVITY OF INHIBITING PROTEIN KINASE AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2014-12-25 US disclosed
CN-103781779-A 4-substituted- (3-substituted-1H-pyrazole-5-amino) -pyrimidine derivative with protein kinase inhibitory activity and application thereof ZHEJIANG HISUN PHARM CO LTD 2014-05-07 CN disclosed
US-8580786-B2 Triazine derivatives and their therapeutical applications NANT HOLDINGS IP, LLC (US) 2013-11-12 US disclosed
EP-2425840-A1 Triazine derivatives and their therapeutical applications Abraxis BioScience, Inc. (US) 2012-03-07 EP disclosed
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2011-06-23 US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
WO-2005007652-A2 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO disclosed
EP-1471910-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN RECEPTORS NEUROGEN CORPORATION (US) 2004-11-03 EP disclosed
EP-1465888-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2004-10-13 EP disclosed
EP-1465635-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 2-(4-BENZYL-PIPERAZIN-1-YLMETHYL)- AND 2-(4-BENZYL-DIAZEPAN-1-YLMETHYL)-1H-BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2004-10-13 EP disclosed
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION 2004-06-03 US disclosed
US-20030229074-A1 Melanin concentrating hormone receptor ligands: substituted 2-(4-benzyl-piperazin-1-ylmethyl)- and 2-(4-benzyl-diazepan-1-ylmethyl)-1H-benzoimidazole analogues NEUROGEN CORPORATION 2003-12-11 US disclosed
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORPORATION 2003-11-20 US disclosed
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 WO disclosed
WO-2003059289-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2003-07-24 WO disclosed
WO-2003060475-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 2-(4-BENZYL-PIPERAZIN-1-YLMETHYL)- AND 2-(4-BENZYL-DIAZEPAN-1-YLMETHYL)-1H-BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2003-07-24 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-20140378488-A1 4-SUBSTITUTED-(3-SUBSTITUTED-1H-PYRAZOLE-5-AMINO)-PYRIMIDINE DERIVATIVES HAVING ACTIVITY OF INHIBITING PROTEIN KINASE AND USE THEREOF MAP4K2, MAP4K1, MAP4K3 BCHE 4124/4885ALDH1A1 3927/4885HSD17B10 4548/4885
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues MCHR1, MCHR2, MC1R BCHE 1917/4885ALDH1A1 1474/4885HSD17B10 811/4885
US-20030229074-A1 Melanin concentrating hormone receptor ligands: substituted 2-(4-benzyl-piperazin-1-ylmethyl)- and 2-(4-benzyl-diazepan-1-ylmethyl)-1H-benzoimidazole analogues MCHR1, MCHR2, MC1R BCHE 2540/4885ALDH1A1 1225/4885HSD17B10 1178/4885
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, CAMKK2, BAZ1A BCHE 3693/4885ALDH1A1 3429/4885HSD17B10 3668/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 BCHE 2564/4885ALDH1A1 1647/4885HSD17B10 4371/4885

“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.