Sugi Predict

Sugi Predict / Compounds / SCHEMBL2117985

SCHEMBL2117985

SCHEMBL2117985

CC(=O)NCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.77
▸ PDGFRB P09619 8/20 0.77
▸ FGFR1 P11362 5/20 0.77
▸ EGFR P00533 3/20 0.77
▸ KIT P10721 2/20 0.77
▸ NEK2 P51955 2/20 0.77
▸ MELK Q14680 2/20 0.77
▸ PRKAA1 Q13131 10/20 0.67
▸ PRKAA2 P54646 9/20 0.67
▸ TLK2 Q86UE8 3/20 0.67
▸ HDAC3 O15379 2/20 0.63
▸ HDAC4 P56524 2/20 0.63
▸ HDAC1 Q13547 2/20 0.63
▸ HDAC7 Q8WUI4 2/20 0.63
▸ HDAC2 Q92769 2/20 0.63
▸ HDAC10 Q969S8 2/20 0.63
▸ HDAC11 Q96DB2 2/20 0.63
▸ HDAC8 Q9BY41 2/20 0.63
▸ HDAC6 Q9UBN7 2/20 0.63
▸ HDAC9 Q9UKV0 2/20 0.63

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
SCHEMBL31672421 1.00 KDR (0.77) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL13755223 0.89 KDR (0.84) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL31672439 0.89 KDR (0.84) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL2113942 0.89 KDR (0.84) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL31672471 0.89 KDR (0.84) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL31672512 0.89 KDR (0.77) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL2113403 0.89 KDR (0.77) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL2115786 0.89 KDR (0.84) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL2116175 0.88 KDR (0.71) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL31672460 0.88 KDR (0.71) KDRPDGFRBFGFR1EGFRKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK KDR 1387/4885PDGFRB 1034/4885FGFR1 1227/4885
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK KDR 395/4885PDGFRB 555/4885FGFR1 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.