SCHEMBL6312478

SCHEMBL6312478

CCOC(=O)N1C(=O)NC(C)=C(C#N)C1c1csc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CACNA1C Q13936 5/20 0.36
CACNA1F O60840 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PDE1C Q14123 3/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 4/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6313487 0.81 KDM4E (0.40) MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL6322014 0.78 CACNA1F (0.40) MAPTSMN1; SMN2CACNA1CCACNA1FCACNA1D
SCHEMBL6312995 0.78 SMN1; SMN2 (0.39) MAPTSMN1; SMN2CACNA1CCACNA1FCACNA1D
SCHEMBL6313477 0.77 KDM4E (0.49) MAPTLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL6312968 0.77 ALDH1A1 (0.52) MAPTSMN1; SMN2CACNA1CCACNA1FCACNA1D
SCHEMBL6318792 0.77 ALDH1A1 (0.47) MAPTSMN1; SMN2CACNA1CCACNA1FCACNA1D
SCHEMBL6314899 0.75 LMNA (0.38) MAPTSMN1; SMN2CACNA1CCACNA1FCACNA1D
SCHEMBL6314219 0.74 CACNA1F (0.36) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL6321647 0.74 CACNA1C (0.44) MAPTCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL6312342 0.74 CACNA1C (0.48) MAPTSMN1; SMN2CACNA1CCACNA1FCACNA1D

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 12 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-1373221-A2 NOVEL 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-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 MAPT 2038/4885SMN1; SMN2 1005/4885CACNA1C 3473/4885
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 MAPT 1949/4885SMN1; SMN2 1102/4885CACNA1C 3606/4885

“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.