SCHEMBL6543897

SCHEMBL6543897

COC(=O)c1cccnc1NCc1ccc(C#N)nc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.51
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPT P10636 1/20 0.44
CNR2 P34972 1/20 0.43
KDR P35968 4/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6543759 0.84 BDKRB1 (0.48) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL6542903 0.81 ALDH1A1 (0.58) BDKRB1KDM4EALDH1A1HPGDKDR
SCHEMBL5871444 0.79 PKM (0.58) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL18071001 0.78 MAPT (0.65) BDKRB1KDM4EALDH1A1MAPTKDR
SCHEMBL7823349 0.78 KDR (0.60) BDKRB1KDM4EALDH1A1HPGDMAPT
SCHEMBL6542710 0.78 KDR (0.62) BDKRB1ALDH1A1KDR
SCHEMBL6543887 0.78 BDKRB1 (0.48) BDKRB1KDM4EALDH1A1HPGDCRHBP
Hydrochloric Acid SCHEMBL7832291 0.77 KDR (0.59) BDKRB1KDM4EALDH1A1HPGDMAPT
SCHEMBL6542940 0.77 CHEK1 (0.50) KDR
SCHEMBL11492008 0.76 KDM4E (0.54) BDKRB1KDM4EALDH1A1HPGDCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254185-A1 Selective anthranilamide pyridine amides as inhibitors of vegfr-2 and vegfr-3 BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-16 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-20040254185-A1 Selective anthranilamide pyridine amides as inhibitors of vegfr-2 and vegfr-3 FLT4, KDR, FLT1 BDKRB1 1372/4885KDM4E 831/4885ALDH1A1 2140/4885

“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.