SCHEMBL2115759

SCHEMBL2115759

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCN(C)CC1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 13/20 0.90
KDR P35968 11/20 0.90
FGFR1 P11362 9/20 0.90
TLK2 Q86UE8 5/20 0.90
PRKAA1 Q13131 8/20 0.76
PRKAA2 P54646 7/20 0.76
HDAC3 O15379 3/20 0.73
HDAC4 P56524 3/20 0.73
HDAC1 Q13547 3/20 0.73
HDAC7 Q8WUI4 3/20 0.73
HDAC2 Q92769 3/20 0.73
HDAC10 Q969S8 3/20 0.73
HDAC11 Q96DB2 3/20 0.73
HDAC8 Q9BY41 3/20 0.73
HDAC6 Q9UBN7 3/20 0.73
HDAC9 Q9UKV0 3/20 0.73
HDAC5 Q9UQL6 3/20 0.73
LCK P06239 4/20 0.72
FYN P06241 4/20 0.72
CSF1R P07333 4/20 0.72

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
SCHEMBL31672513 1.00 PDGFRB (0.90) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL31672543 0.96 PDGFRB (0.83) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL2117022 0.96 PDGFRB (0.83) PDGFRBKDRFGFR1TLK2PRKAA1
Toceranib SCHEMBL1673439 0.95 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2PRKAA1
Toceranib SCHEMBL2116670 0.95 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2PRKAA1
Toceranib SCHEMBL29354429 0.95 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL22649592 0.93 PDGFRB (0.87) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL5830182 0.93 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2PRKAA1
SCHEMBL22649596 0.93 PDGFRB (0.86) PDGFRBKDRFGFR1TLK2PRKAA1
Toceranib SCHEMBL29397832 0.93 PDGFRB (0.95) PDGFRBKDRFGFR1TLK2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 US disclosed
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 US disclosed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
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-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-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 US 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 (3 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-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 PDGFRB 40/4885KDR 648/4885FGFR1 48/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK PDGFRB 1034/4885KDR 1387/4885FGFR1 1227/4885
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK PDGFRB 555/4885KDR 395/4885FGFR1 462/4885

“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.