SCHEMBL4470094

SCHEMBL4470094

O=[C]NCCN1CCCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
PER2 O15055 2/20 0.34
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CRY2 Q49AN0 1/20 0.32

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
SCHEMBL4467977 0.90 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A
SCHEMBL2652404 0.89 ALDH1A1 (0.46) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A
SCHEMBL4465738 0.79 KMT2A (0.40) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A
SCHEMBL20733275 0.75 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A
SCHEMBL22662833 0.75 SMN1; SMN2 (0.53) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A
SCHEMBL1305595 0.75 KMT2A (0.53) ALDH1A1KMT2ALMNA
SCHEMBL1446504 0.74 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A
SCHEMBL4468451 0.72 KMT2A (0.46) SMN1; SMN2KMT2ARAB9A
SCHEMBL17599243 0.72 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL12385867 0.72 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427326-A4 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2005-06-08 EP claimed
EP-1427326-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Sugen, Inc. (US) 2004-06-16 EP claimed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US claimed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US claimed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US claimed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO claimed
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP claimed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US claimed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO claimed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US 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
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
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US 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
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 (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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR SMN1; SMN2 3892/4885MAPT 4505/4885ALDH1A1 918/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 SMN1; SMN2 3803/4885MAPT 3067/4885ALDH1A1 1738/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK SMN1; SMN2 3720/4885MAPT 1936/4885ALDH1A1 2848/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 SMN1; SMN2 3648/4885MAPT 1881/4885ALDH1A1 2793/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 SMN1; SMN2 3648/4885MAPT 1881/4885ALDH1A1 2793/4885

“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.