SCHEMBL6314889

SCHEMBL6314889

CCOC(=O)N1C(=O)NC(C)=C(C#N)C1c1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 3/20 0.52
HSD17B10 Q99714 4/20 0.49
GAA P10253 4/20 0.49
PDE1C Q14123 3/20 0.45
HIF1A Q16665 2/20 0.44
HTT P42858 1/20 0.44
DHFR P00374 1/20 0.44
TSHR P16473 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 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
SCHEMBL6320798 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6313184 0.87 POLB (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6640675 0.87 LMNA (0.48) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL6312439 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6321556 0.86 CACNA1C (0.41) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL6312342 0.85 CACNA1C (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6311755 0.83 CACNA1F (0.58)
SCHEMBL7434638 0.79 DHFR (0.55) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL6314714 0.78 CACNA1C (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6318792 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809102-B2 FOR THERAPY OF PROLIFERATIVE DISEASES, SUCH AS CANCER; TO INTERRUPT MITOSIS BRISTOL-MYERS SQUIBB COMPANY 2004-10-26 US claimed
EP-1373221-A4 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP claimed
EP-1373221-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP claimed
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2003-01-09 US claimed
WO-2002079149-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO claimed
US-6900214-B2 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
US-6809102-B2 FOR THERAPY OF PROLIFERATIVE DISEASES, SUCH AS CANCER; TO INTERRUPT MITOSIS BRISTOL-MYERS SQUIBB COMPANY 2004-10-26 US disclosed
EP-1373221-A4 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP 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-1373221-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 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
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2003-01-09 US disclosed
WO-2002079169-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
WO-2002079149-A2 NOVEL 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 (2 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 ALDH1A1 980/4885KDM4E 1638/4885MAPT 2038/4885
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 ALDH1A1 1500/4885KDM4E 1839/4885MAPT 1949/4885

“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.