SCHEMBL6318802

SCHEMBL6318802

CC1=C(C#N)C(c2cccc(Br)c2)N(C(=O)O)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 2/20 0.45
CCR1 P32246 2/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 1/20 0.37
CCR2 P41597 1/20 0.36
CACNA1F O60840 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
SCHEMBL6138540 0.87 CACNA1F (0.41) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6319276 0.86 CACNA1F (0.52) MAPK1L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6137169 0.86 ALDH1A1 (0.46) MAPK1MAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL6137084 0.86 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL6137371 0.86 ALDH1A1 (0.40) MAPK1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6137120 0.86 CACNA1F (0.44) MAPTSMN1; SMN2ALDH1A1CCR1LMNA
SCHEMBL6312858 0.86 ALDH1A1 (0.40) L3MBTL1MAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL6314801 0.85 MAPT (0.46) MAPK1L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6319506 0.84 ALDH1A1 (0.37) MAPK1L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6312755 0.84 ALDH1A1 (0.51) MAPK1L3MBTL1MAPTALDH1A1LMNA

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 6 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 disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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 (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 MAPK1 816/4885L3MBTL1 1533/4885MAPT 2038/4885
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR MAPK1 1940/4885L3MBTL1 1957/4885MAPT 4616/4885

“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.