SCHEMBL6313360

SCHEMBL6313360

CCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48
CACNA1C Q13936 2/20 0.48
ELANE P08246 13/20 0.47
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
GUSB P08236 1/20 0.43
HCRTR2 O43614 1/20 0.41
PRTN3 P24158 1/20 0.40
CYP2C9 P11712 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6314072 0.91 ELANE (0.41) CACNA1FCACNA1DCACNA1SCACNA1CELANE
SCHEMBL6137332 0.86 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CELANE
SCHEMBL6623133 0.85 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CELANE
SCHEMBL6319535 0.85 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CELANE
SCHEMBL6314801 0.85 MAPT (0.46) CACNA1FCACNA1DCACNA1SCACNA1CELANE
SCHEMBL6320382 0.84 ELANE (0.42) ELANEADRA1DADRA1AADRA1B
SCHEMBL6318791 0.84 ELANE (0.46) ELANEADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6312051 0.84 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BCYP2C9ALDH1A1
SCHEMBL6320926 0.84 PDE1C (0.38) CACNA1FCACNA1DCACNA1SCACNA1CELANE
SCHEMBL6623135 0.83 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CELANE

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-1373223-A4 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP 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
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 CACNA1F 3082/4885CACNA1D 3435/4885CACNA1S 3122/4885
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 CACNA1F 3260/4885CACNA1D 3438/4885CACNA1S 3337/4885

“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.