SCHEMBL2116509

SCHEMBL2116509

Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc32)c(C)c1C(=O)NCCN1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.65
PDGFRB P09619 11/20 0.65
FGFR1 P11362 8/20 0.65
TLK2 Q86UE8 2/20 0.65
FLT3 P36888 5/20 0.54
AURKB Q96GD4 4/20 0.54
MET P08581 3/20 0.54
PRKAA1 Q13131 6/20 0.49
PRKAA2 P54646 5/20 0.49
LCK P06239 3/20 0.49
KIT P10721 3/20 0.49
AURKA O14965 1/20 0.49
KCNH2 Q12809 1/20 0.49
PLK4 O00444 2/20 0.48
DCLK1 O15075 2/20 0.48
ROCK2 O75116 2/20 0.48
RPS6KA5 O75582 2/20 0.48
MAP4K4 O95819 2/20 0.48
EGFR P00533 2/20 0.48
NTRK1 P04629 2/20 0.48

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
SCHEMBL6427814 1.00 KDR (0.65) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL13755234 0.88 KDR (0.66) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL2115618 0.88 KDR (0.66) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL3800332 0.85 ALK (0.57) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL3801277 0.85 ALK (0.57) KDRPDGFRBFGFR1FLT3AURKB
SCHEMBL31672500 0.83 KDR (0.74) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL2114225 0.83 KDR (0.74) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL13755241 0.83 KDR (0.74) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL140610 0.82 KDR (0.70) KDRPDGFRBFGFR1TLK2FLT3
SCHEMBL13755236 0.81 KDR (0.65) KDRPDGFRBFGFR1TLK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3789027-A1 BOSUTINIB, SUNITINIB, TIVOZANIB, IMATINIB, NILOTINIB, REBASTINIB OR BAFETINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2021-03-10 EP disclosed
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 US disclosed
US-7125905-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2005-08-11 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-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KDR 1372/4885PDGFRB 974/4885FGFR1 1091/4885
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.