SCHEMBL1026006

SCHEMBL1026006

Cc1nnc(-c2ccc(C)c(N)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NOTUM Q6P988 1/20 0.44
MAPK14 Q16539 7/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.43
MAPK11 Q15759 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
MAP2K1 Q02750 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL24623117 0.91 RAB9A (0.53) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12918687 0.83 ALDH1A1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL13451187 0.83 NOTUM (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL24623369 0.80 MECP2 (0.66) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL15507192 0.79 ALDH1A1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14932735 0.79 NOTUM (0.48) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4863208 0.79 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL1234736 0.79 NOTUM (0.44) RAB9AALDH1A1SMN1; SMN2HPGDNOTUM
SCHEMBL4911763 0.79 NOTUM (0.44) RAB9AALDH1A1SMN1; SMN2HPGDNOTUM
SCHEMBL1627406 0.79 SNCA (0.56) ALDH1A1SMN1; SMN2HPGDNOTUMMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
EP-2133348-B1 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2011-08-31 EP disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
EP-1618092-B1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-22 EP disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-7388009-B2 Heteroaryl-substituted pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7388009-B2 Heteroaryl-substituted pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 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-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 NPC1 2010/4885RAB9A 2249/4885ALDH1A1 2758/4885
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 NPC1 1906/4885RAB9A 1850/4885ALDH1A1 1506/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 NPC1 450/4885RAB9A 1221/4885ALDH1A1 180/4885
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease MAPK1, MAPK3, TNF NPC1 4360/4885RAB9A 1666/4885ALDH1A1 4289/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 NPC1 1230/4885RAB9A 3994/4885ALDH1A1 600/4885
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 NPC1 2988/4885RAB9A 963/4885ALDH1A1 2665/4885

“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.