SCHEMBL4418074

SCHEMBL4418074

O=C1Nc2ccccc2C1N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ IDO1 P14902 3/20 0.42
▸ HTR7 P34969 4/20 0.42
▸ TDO2 P48775 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HTR5A P47898 1/20 0.38

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
SCHEMBL16876680 0.87 ALDH1A1 (0.44) TSHRALDH1A1KMT2AKDM4EGAA
SCHEMBL18324882 0.82 ALDH1A1 (0.41) TSHRALDH1A1KMT2AKDM4EGAA
SCHEMBL16876735 0.79 DRD4 (0.52) TSHRALDH1A1HTR7DRD2DRD1
SCHEMBL2087680 0.79 TSHR (0.50) TSHRALDH1A1KDM4EMAPTLRRK2
SCHEMBL7832606 0.75 LRRK2 (0.40) TSHRALDH1A1KMT2AKDM4EGAA
SCHEMBL27075570 0.75 IDO1 (0.45) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL8088583 0.73 TSHR (0.48) TSHRALDH1A1KMT2AKDM4EMAPT
SCHEMBL27607923 0.72 TSHR (0.50) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL9899738 0.69 IDO1 (0.53) ALDH1A1KDM4EGAAMAPTIDO1
SCHEMBL6642966 0.68 IDO1 (0.45) TSHRALDH1A1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020408-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors Sugen, Inc. (US) 2009-02-04 — — EP disclosed
EP-1453502-A4 PHARMACEUTICAL FORMULATIONS COMPRISING INDOLINONE DERIVATIVES SUGEN INC (US) 2007-01-10 — — EP disclosed
US-7119090-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2006-10-10 — — US disclosed
US-7112603-B2 Prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-26 — — US disclosed
US-7109185-B2 Pharmaceutical formulations comprising indolinone derivatives SUGEN, INC. (US) 2006-09-19 — — 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-7053113-B2 Mannich base prodrugs of 3-(pyrrol-2-yl-methylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 — — US disclosed
CN-1250526-C Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN INC (US) 2006-04-12 — — CN disclosed
EP-1294711-B8 1-(PYRROLIDIN-1-YLMETHYL)-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS MODULATORS OF PROTEIN KINASES PHARMACIA & UPJOHN CO LLC (US) 2006-03-08 — — EP disclosed
US-7008943-B2 1-(Pyrrolidin-1-ylmethyl)-3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PHARMACIA & UPJOHN COMPANY (US) 2006-03-07 — — US disclosed
US-20020035140-A1 1-(pyrrlolidin-1-ylmethyl)-3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PHARMACIA & UPJOHN COMPANY 2002-03-21 — — US disclosed
US-20020032204-A1 Mannich base prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN INCORPORATED 2002-03-14 — — US disclosed
WO-2001090103-A9 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS SUGEN INC (US) 2002-03-07 — — WO disclosed
WO-2001090104-A2 -(PYRROLIDIN-1-YLMETHYL)-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS MODULATORS OF PROTEIN KINASES PHARMACIA & UPJOHN COMPANY (US) 2001-11-29 — — WO 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
EP-1082305-A4 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2001-09-26 — — EP disclosed
CN-1311775-A Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN INC (US) 2001-09-05 — — CN disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 — — WO disclosed
EP-1082305-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2001-03-14 — — EP disclosed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 — — 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 (2 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-20020032204-A1 Mannich base prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives DMPK, PNKP, PLK2 TSHR 3418/4885ALDH1A1 2147/4885KMT2A 2397/4885
US-20020035140-A1 1-(pyrrlolidin-1-ylmethyl)-3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PKLR, DMPK, PHKG1 TSHR 1820/4885ALDH1A1 2726/4885KMT2A 2709/4885

“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.

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