SCHEMBL1258441

SCHEMBL1258441

Cc1cc(N)ccc1Oc1ccc2nc(NC(=O)C3CC3)cn2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.56
FLT1 P17948 3/20 0.53
PDGFRB P09619 2/20 0.53
AURKA O14965 1/20 0.53
KIT P10721 1/20 0.53
MET P08581 5/20 0.53
LRRK2 Q5S007 8/20 0.51
FLT4 P35916 2/20 0.50
MAP4K1 Q92918 2/20 0.46
ABL1 P00519 2/20 0.43
CSF1R P07333 1/20 0.42
YES1 P07947 1/20 0.42
RET P07949 1/20 0.42
BCR P11274 1/20 0.42
PDGFRA P16234 1/20 0.42
ABL2 P42684 1/20 0.42
DDR1 Q08345 1/20 0.42
DDR2 Q16832 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42

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
SCHEMBL1260191 0.88 KDR (0.49) KDRFLT1PDGFRBAURKAKIT
SCHEMBL1257985 0.88 KDR (0.59) KDRFLT1PDGFRBAURKAKIT
SCHEMBL1258121 0.85 KDR (0.55) KDRFLT1PDGFRBAURKAKIT
SCHEMBL4280812 0.82 KDR (0.62) KDRFLT1PDGFRBAURKAKIT
SCHEMBL4447930 0.79 KDR (0.70) KDRFLT1PDGFRBAURKAKIT
SCHEMBL14949679 0.78 KDR (0.70) KDRFLT1PDGFRBAURKAKIT
SCHEMBL22380363 0.78 LRRK2 (0.78) LRRK2ABL1
SCHEMBL1259741 0.78 KDR (0.55) KDRFLT1PDGFRBAURKAKIT
SCHEMBL1259109 0.78 KDR (0.55) KDRFLT1PDGFRBAURKAKIT
SCHEMBL1259939 0.77 ABL1 (0.55) KDRFLT1PDGFRBAURKAKIT

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-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 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 (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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 KDR 966/4885FLT1 1499/4885PDGFRB 757/4885

“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.