SCHEMBL6315155

SCHEMBL6315155

CC1=C(C#N)C(c2cccc(-c3ccncc3)c2)NC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
HPGD P15428 6/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 4/20 0.40
GLA P06280 3/20 0.40
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HTT P42858 4/20 0.38
KIF11 P52732 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
GUSB P08236 1/20 0.36
PDE5A O76074 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL6312910 0.89 ALDH1A1 (0.50) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL6314299 0.86 CYP11B1 (0.41) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL6312597 0.83 SMN1; SMN2 (0.38) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL6312587 0.79 MAPK1 (0.51) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL6321503 0.78 USP2 (0.57) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL6608315 0.77 ELANE (0.37) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL6314069 0.76 CACNA1C (0.38) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL6312851 0.76 ALDH1A1 (0.46) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL6313447 0.75 MAPT (0.52) ALDH1A1GAAHTTMAPTKMT2A
SCHEMBL6313474 0.74 GUSB (0.53) ALDH1A1GAAGLAHSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900214-B2 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
EP-1373223-A4 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1373223-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
WO-2002079169-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
US-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 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-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 KDM4E 1638/4885HPGD 712/4885ALDH1A1 980/4885

“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.