SCHEMBL6313474

SCHEMBL6313474

COC(=O)c1cccc(C2NC(=O)NC(C)=C2C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.53
HSD17B10 Q99714 2/20 0.48
HTT P42858 2/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.48
KLK7 P49862 1/20 0.48
CASP7 P55210 1/20 0.48
TSHR P16473 1/20 0.47
KIF11 P52732 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 2/20 0.44
ADORA2B P29275 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6607324 0.79 KMT2A (0.44) HSD17B10HTTGLAMAPTCASP1
SCHEMBL6312587 0.78 MAPK1 (0.51) GUSBHSD17B10HTTMAPTKIF11
SCHEMBL6312900 0.78 HSD17B10 (0.45) HSD17B10HTTGLAMAPTCASP1
SCHEMBL6321503 0.77 USP2 (0.57) HSD17B10MAPTTSHRGAAALDH1A1
SCHEMBL6312151 0.75 CACNA1F (0.52) HSD17B10HTTGLAMAPTCASP1
SCHEMBL6321577 0.75 ADRA1D (0.43) HSD17B10HTTGLAMAPTCASP1
SCHEMBL6313447 0.74 MAPT (0.52) GUSBHTTMAPTGAAPKM
SCHEMBL6315155 0.74 KDM4E (0.40) GUSBHSD17B10HTTGLAMAPT
SCHEMBL6312597 0.73 SMN1; SMN2 (0.38) GUSBHSD17B10HTTGLAMAPT
SCHEMBL6313230 0.73 MEN1 (0.42) GUSBHSD17B10HTTKIF11NPSR1

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 GUSB 3418/4885HSD17B10 1279/4885HTT 3698/4885

“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.