SCHEMBL6319407

SCHEMBL6319407

N#Cc1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.55
LRRK2 Q5S007 1/20 0.47
IDO1 P14902 2/20 0.45
CCKBR P32239 1/20 0.41
PGR P06401 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
KMT2A Q03164 2/20 0.38
TLK2 Q86UE8 1/20 0.38
TDO2 P48775 1/20 0.37
NAMPT P43490 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL6321013 1.00 KDR (0.55) KDRLRRK2IDO1CCKBRPGR
SCHEMBL6320241 0.87 ALDH1A1 (0.46) KDRIDO1MAPTHTTKMT2A
SCHEMBL6322601 0.87 ALDH1A1 (0.46) KDRIDO1MAPTHTTKMT2A
SCHEMBL6320369 0.87 KDR (0.48) KDRLRRK2IDO1TDP1MAPT
SCHEMBL6320376 0.87 KDR (0.48) KDRLRRK2IDO1TDP1MAPT
SCHEMBL7492390 0.87 KDR (0.43) KDRLRRK2F2PLGPLAU
SCHEMBL4504429 0.87 TMPRSS4 (0.44) KDRTDP1F2PLGPLAU
SCHEMBL7088689 0.87 KDR (0.44) KDRLRRK2PGRF2PLG
SCHEMBL7088684 0.87 KDR (0.44) KDRLRRK2PGRF2PLG
SCHEMBL4504432 0.87 TMPRSS4 (0.44) KDRTDP1F2PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 KDR 448/4885LRRK2 431/4885IDO1 232/4885

“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.