SCHEMBL3517633

SCHEMBL3517633

CCc1ccc(C(N)=O)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 1/20 0.46
PARP10 Q53GL7 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
PARP1 P09874 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
PLEC Q15149 1/20 0.43
CREBBP Q92793 1/20 0.43
LCK P06239 1/20 0.42

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
SCHEMBL13575532 0.86 MAPK1 (0.45) KDM4EALDH1A1HSD17B10MAPK1PARP10
SCHEMBL7515441 0.86 HSD17B10 (0.42) KDM4EALDH1A1HSD17B10MAPK1PARP10
SCHEMBL16863983 0.86 HSD17B10 (0.42) KDM4EALDH1A1HSD17B10MAPK1PARP10
SCHEMBL14235937 0.85 PARP1 (0.50) KDM4EALDH1A1HSD17B10MAPK1PARP10
SCHEMBL2858379 0.84 HSD17B10 (0.41) KDM4EALDH1A1HSD17B10MAPK1PARP10
SCHEMBL6112695 0.83 HRH4 (0.46) KDM4EALDH1A1HSD17B10MAPK1PARP10
SCHEMBL30269683 0.83 GAA (0.61) KDM4EALDH1A1HSD17B10SMN1; SMN2RAB9A
SCHEMBL4160955 0.83 CREBBP (0.61) KDM4EALDH1A1HSD17B10SMN1; SMN2RAB9A
SCHEMBL3131960 0.83 GAA (0.61) KDM4EALDH1A1HSD17B10SMN1; SMN2RAB9A
SCHEMBL13816866 0.82 PARP1 (0.47) KDM4EALDH1A1HSD17B10MAPK1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599629-A EPOXY RESIN HAVING AT LEAST ONE GLYCIDYL AMINE GROUP AND THREE OR MORE EPOXIDE GROUPS PER MOLECULE, AROMATIC AMINE HARDENER SUBSTITUTED WITH ELECTRON WITHDRAWING GROUP IN SPECIFIED STOICHIOMETRY AMOCO CORPORATION (US) 1997-02-04 US claimed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 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-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
EP-1618092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-01-25 EP disclosed
EP-1617840-A2 PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-01-25 EP disclosed
US-20050159424-A1 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-07-21 US disclosed
US-20050004176-A1 Pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004099156-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 WO disclosed
WO-2004098518-A2 PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 WO disclosed
US-5599629-A EPOXY RESIN HAVING AT LEAST ONE GLYCIDYL AMINE GROUP AND THREE OR MORE EPOXIDE GROUPS PER MOLECULE, AROMATIC AMINE HARDENER SUBSTITUTED WITH ELECTRON WITHDRAWING GROUP IN SPECIFIED STOICHIOMETRY AMOCO CORPORATION (US) 1997-02-04 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 (7 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 KDM4E 1412/4885ALDH1A1 2838/4885HSD17B10 3261/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 KDM4E 3344/4885ALDH1A1 2289/4885HSD17B10 2821/4885
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 KDM4E 1524/4885ALDH1A1 4289/4885HSD17B10 4817/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 KDM4E 1412/4885ALDH1A1 2838/4885HSD17B10 3261/4885
US-20050159424-A1 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors MAPK6, CDK6, GRK6 KDM4E 2303/4885ALDH1A1 2758/4885HSD17B10 3198/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 KDM4E 1412/4885ALDH1A1 2838/4885HSD17B10 3261/4885
US-20050004176-A1 Pyrazole-amide compounds useful as kinase inhibitors MAP3K1, MAP3K5, MAP3K7 KDM4E 3013/4885ALDH1A1 2171/4885HSD17B10 3660/4885

“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.