SCHEMBL6313993

SCHEMBL6313993

CCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1oc(-c2ccc(Cl)cc2)cc1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.41
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA1D Q01668 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ABCC1 P33527 1/20 0.36
CRHBP P24387 1/20 0.36

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
SCHEMBL6312772 0.73 ADRA1D (0.39) NPSR1TSHRGAACACNA1DPDE1C
SCHEMBL6315050 0.69 ADRA1D (0.49) PDE1CADRA1DADRA1AADRA1B
SCHEMBL6314301 0.69 ABCC9 (0.45) PDE1CADRA1DADRA1AADRA1B
SCHEMBL6321577 0.69 ADRA1D (0.43) NPSR1TSHRGAAALDH1A1HTT
SCHEMBL6320957 0.68 ADRA1D (0.41) LMNAMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL6313829 0.68 ADRA1D (0.37) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL6314685 0.67 TSHR (0.41) NPSR1TSHRGAAALDH1A1KMT2A
SCHEMBL6314801 0.67 MAPT (0.46) NPSR1TSHRALDH1A1KMT2ALMNA
SCHEMBL3105153 0.67 NPC1 (0.67) GAAALDH1A1KMT2ALMNAALOX12
SCHEMBL6316067 0.67 ALDH1A1 (0.40) NPSR1TSHRALDH1A1LMNAMAPT

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-1373223-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 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-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 NPSR1 4017/4885TSHR 4809/4885GAA 687/4885
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 NPSR1 4034/4885TSHR 4827/4885GAA 1085/4885

“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.