SCHEMBL6315920

SCHEMBL6315920

CC1=C(C#N)C(c2cccc(-n3cccc3)c2)N(C(=O)O)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
CACNA1F O60840 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
KDM4E B2RXH2 2/20 0.33
NR3C2 P08235 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AOC2 O75106 1/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6138540 0.84 CACNA1F (0.41) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL6137169 0.83 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL6137120 0.83 CACNA1F (0.44) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL6318802 0.83 MAPK1 (0.47) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL6137084 0.83 MAPT (0.45) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL6137371 0.83 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL6312858 0.83 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL6312755 0.81 ALDH1A1 (0.51) ALDH1A1HPGDMAPTGAALMNA
SCHEMBL6319506 0.81 ALDH1A1 (0.37) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL6137332 0.80 CACNA1F (0.47) SMN1; SMN2MAPTLMNACACNA1FCACNA1D

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 10 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 claimed
EP-1373223-A4 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP claimed
EP-1373223-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP claimed
WO-2002079169-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO claimed
US-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US claimed
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 ALDH1A1 980/4885HPGD 712/4885SMN1; SMN2 1005/4885

“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.