SCHEMBL5873836

SCHEMBL5873836

CC(C)(C)OC(=O)n1nnc2ccc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
BRD4 O60885 2/20 0.40
FAAH O00519 1/20 0.40
F12 P00748 4/20 0.36
MGAM O43451 8/20 0.35
AMY1A P0DUB6 8/20 0.35
GAA P10253 8/20 0.35
SI P14410 8/20 0.35
MGAM2 Q2M2H8 8/20 0.35
MAP4K4 O95819 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
CSNK1A1 P48729 1/20 0.35
GSK3A P49840 1/20 0.35
LIMK1 P53667 1/20 0.35
IKBKE Q14164 1/20 0.35
MAPK14 Q16539 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35

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
SCHEMBL18063082 0.89 NR1H2 (0.43) NR1H2BRD4FAAHF12MGAM
SCHEMBL27142810 0.83 MGAM (0.42) FAAHF12MGAMAMY1AGAA
SCHEMBL1971916 0.80 GAA (0.54) F12MGAMAMY1AGAASI
SCHEMBL19848081 0.79 CHEK1 (0.50) F12MGAMAMY1AGAASI
SCHEMBL1161338 0.76 KCNMA1 (0.53) FAAHF12MGAMAMY1AGAA
SCHEMBL31666989 0.76 KCNMA1 (0.53) FAAHF12MGAMAMY1AGAA
SCHEMBL19911604 0.75 MGAM (0.38) F12MGAMAMY1AGAASI
SCHEMBL30847365 0.75 USP30 (0.41) FAAH
SCHEMBL27110646 0.75 USP30 (0.41) FAAH
SCHEMBL1032516 0.75 TAOK1 (0.50) NR1H2BRD4FAAHMAP4K4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 US disclosed
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-20050282810-A1 Oxindole derivatives HARRIS PHILIP A 2005-12-22 US disclosed
US-6964977-B2 Oxindole derivatives SMITHKLINE BEECHAM CORPORATION (US) 2005-11-15 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
US-20040191210-A1 Compounds GLENNON KIMBERLEY CAROLINE (US) 2004-09-30 US disclosed
US-20030225090-A1 E.g., 5-(((Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-amino)-1,3-dihydro-2H -benzimidazol-2-one; inhibition or antagonism of protein kinases; treating pain or cancer SMITHKLINE BEECHAM CORPORATION 2003-12-04 US disclosed
EP-1317446-A1 OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-11 EP disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
WO-2002020513-A1 OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-03-14 WO disclosed
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP disclosed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 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 (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-20050282810-A1 Oxindole derivatives OPRK1, ERBB2, OGFR NR1H2 364/4885BRD4 843/4885FAAH 1703/4885
US-20040191210-A1 Compounds CDK1, AKT1, RPS6KA1 NR1H2 2773/4885BRD4 1196/4885FAAH 4810/4885
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX NR1H2 3757/4885BRD4 1954/4885FAAH 4771/4885
US-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT NR1H2 4098/4885BRD4 2577/4885FAAH 1981/4885
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 NR1H2 1731/4885BRD4 1376/4885FAAH 888/4885
US-20030225090-A1 E.g., 5-(((Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-amino)-1,3-dihydro-2H -benzimidazol-2-one; inhibition or antagonism of protein kinases; treating pain or cancer ERBB2, DSTYK, OPRK1 NR1H2 591/4885BRD4 698/4885FAAH 1614/4885

“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.