SCHEMBL5873735

SCHEMBL5873735

CN(C)C=C1C(=O)Nc2ccc3nnn(C(=O)OC(C)(C)C)c3c21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
KMT2A Q03164 2/20 0.31
FAAH O00519 1/20 0.31
MAPK10 P53779 1/20 0.31
BUB1 O43683 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5873733 1.00 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPTMEN1POLB
SCHEMBL5873719 0.72 CCNB2 (0.40) MAPTFAAHBUB1
SCHEMBL13244110 0.69 BACE1 (0.42) SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL5873811 0.63 MAP3K11 (0.59) SMN1; SMN2ALDH1A1MAPTMEN1POLB
SCHEMBL6610170 0.63 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5873809 0.63 MAP3K11 (0.59) SMN1; SMN2ALDH1A1MAPTMEN1POLB
SCHEMBL13244156 0.62 KIT (0.45) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL1971916 0.61 GAA (0.54) ALDH1A1MAPTKMT2ANPSR1
SCHEMBL5873836 0.59 NR1H2 (0.43) FAAH
SCHEMBL27142810 0.59 MGAM (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050282810-A1 Oxindole derivatives OPRK1, ERBB2, OGFR SMN1; SMN2 3549/4885ALDH1A1 3635/4885MAPT 3370/4885
US-20040191210-A1 Compounds CDK1, AKT1, RPS6KA1 SMN1; SMN2 3527/4885ALDH1A1 3649/4885MAPT 2084/4885
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX SMN1; SMN2 4854/4885ALDH1A1 4171/4885MAPT 2317/4885
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 SMN1; SMN2 4631/4885ALDH1A1 3290/4885MAPT 4439/4885
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 SMN1; SMN2 3500/4885ALDH1A1 3801/4885MAPT 3646/4885

“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.