SCHEMBL13755263

SCHEMBL13755263

C#CCCNCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C#C)cc32)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.64
PRKAA1 Q13131 9/20 0.64
PRKAA2 P54646 8/20 0.64
TLK2 Q86UE8 3/20 0.64
GRK5 P34947 3/20 0.64
PDGFRB P09619 7/20 0.58
FGFR1 P11362 5/20 0.58
HDAC3 O15379 3/20 0.57
HDAC4 P56524 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC11 Q96DB2 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC9 Q9UKV0 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
EGFR P00533 3/20 0.57
LRRK2 Q5S007 2/20 0.57

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
SCHEMBL13755261 0.90 KDR (0.79) KDRPRKAA1PRKAA2TLK2GRK5
SCHEMBL13755260 0.90 KDR (0.71) KDRPRKAA1PRKAA2TLK2GRK5
SCHEMBL13755262 0.88 KDR (0.69) KDRPRKAA1PRKAA2TLK2GRK5
SCHEMBL31672444 0.86 KDR (0.75) KDRPRKAA1PRKAA2TLK2GRK5
SCHEMBL2114517 0.86 KDR (0.75) KDRPRKAA1PRKAA2TLK2GRK5
SCHEMBL2114171 0.82 KDR (0.79) KDRPRKAA1PRKAA2TLK2GRK5
SCHEMBL31672460 0.81 KDR (0.71) KDRPRKAA1PRKAA2TLK2GRK5
SCHEMBL31672507 0.81 KDR (0.71) KDRPRKAA1PRKAA2TLK2GRK5
SCHEMBL2116175 0.81 KDR (0.71) KDRPRKAA1PRKAA2TLK2GRK5
SCHEMBL2114504 0.81 KDR (0.79) KDRPRKAA1PRKAA2TLK2GRK5

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 2 patents. 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
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 (1 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 1387/4885PRKAA1 73/4885PRKAA2 92/4885

“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.