SCHEMBL6314299

SCHEMBL6314299

CC1=C(C#N)C(c2cccc(-c3cnccc3C)c2)NC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
GLA P06280 3/20 0.41
GAA P10253 3/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CACNA1C Q13936 2/20 0.38
ABL1 P00519 3/20 0.37
KIF11 P52732 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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 0.86 ALDH1A1 (0.50) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL6315155 0.86 KDM4E (0.40) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6606626 0.79 CYP11B2 (0.38) CYP11B1CYP11B2ALDH1A1CACNA1CABL1
SCHEMBL6312597 0.79 SMN1; SMN2 (0.38) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6312822 0.78 CACNA1C (0.41) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL6312851 0.78 ALDH1A1 (0.46) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL6312587 0.75 MAPK1 (0.51) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL6321503 0.74 USP2 (0.57) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL6316060 0.73 KDM4E (0.47) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL6313447 0.71 MAPT (0.52) ALDH1A1GAAHTTMAPTKMT2A

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 CYP11B1 339/4885CYP11B2 443/4885KDM4E 1638/4885

“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.