SCHEMBL4476108

SCHEMBL4476108

NNC(=O)Cc1cc(F)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
MAPK8 P45983 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 4/20 0.38
ANO1 Q5XXA6 2/20 0.37
HDAC3 O15379 2/20 0.36
ALPL P05186 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
AOC2 O75106 1/20 0.36
FADS1 O60427 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
SCHEMBL835998 0.81 MAPK8 (0.56) MAPK8SMN1; SMN2ALDH1A1ALPL
SCHEMBL29500546 0.81 MAPK8 (0.56) MAPK8SMN1; SMN2ALDH1A1ALPL
SCHEMBL16396814 0.80 KEAP1 (0.53) KEAP1ALDH1A1HDAC1CYP1A2
Hydrochloric Acid SCHEMBL16236010 0.79 MAPK8 (0.55) MAPK8SMN1; SMN2ALDH1A1ALPL
SCHEMBL837387 0.78 P2RX7 (0.49) ALDH1A1
SCHEMBL5192274 0.76 KEAP1 (0.49) KEAP1MAPK8ALDH1A1HDAC1HDAC3
SCHEMBL4405083 0.76 PLA2G2A (0.51) MAPK8
SCHEMBL28183476 0.75 KEAP1 (0.43) KEAP1SMN1; SMN2ALDH1A1HDAC1HDAC3
SCHEMBL16410276 0.74 MTNR1A (0.50) KEAP1ALDH1A1HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL17824325 0.74 MAPK8 (0.50) MAPK8ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
EP-1427326-B1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2008-11-19 EP disclosed
EP-1562600-A4 COMBINATION ADMINISTRATION OF AN INDOLINONE WITH A CHEMOTHERAPEUTIC AGENT FOR CELL PROLIFERATION DISORDERS SUGEN INC (US) 2008-06-25 EP disclosed
EP-1446117-A4 TREATMENT OF ACUTE MYELOID LEUKEMIA WITH INDOLINONE COMPOUNDS SUGEN INC (US) 2008-01-23 EP disclosed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 US disclosed
CN-101052394-A Treatment of acute myeloid leukemia with indolinone compounds SUGEN INC (US) 2007-10-10 CN disclosed
EP-1255752-B1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2007-08-08 EP disclosed
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 US disclosed
US-7125905-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
EP-1301507-B1 MANNICH BASE PRODRUGS OF 3 - (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS MODULATORS OF PROTEIN KINASES SUGEN INC (US) 2006-07-19 EP disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
WO-2003035009-A2 TREATMENT OF ACUTE MYELOID LEUKEMIA WITH INDOLINONE COMPOUNDS SUGEN, INC. (US) 2003-05-01 WO disclosed
EP-1301507-A2 MANNICH BASE PRODRUGS OF 3 - (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS MODULATORS OF PROTEIN KINASES Sugen, Inc. (US) 2003-04-16 EP disclosed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO disclosed
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP disclosed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 WO disclosed
US-20020032204-A1 Mannich base prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN INCORPORATED 2002-03-14 US disclosed
WO-2001090068-A2 MANNICH BASE PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE A MODULATORS OF PROTEIN KINASES SUGEN, INC. (US) 2001-11-29 WO disclosed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 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 (4 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-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KEAP1 1646/4885MAPK8 427/4885SMN1; SMN2 3803/4885
US-20020032204-A1 Mannich base prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives DMPK, PNKP, PLK2 KEAP1 1690/4885MAPK8 428/4885SMN1; SMN2 2848/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK KEAP1 1219/4885MAPK8 353/4885SMN1; SMN2 3720/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KEAP1 1205/4885MAPK8 348/4885SMN1; SMN2 3648/4885

“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.