SCHEMBL6312063

SCHEMBL6312063

CC1=C(C#N)C(c2ccccc2-c2ccc(Cl)cc2)NC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 9/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GLA P06280 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR3C2 P08235 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL6316060 0.81 KDM4E (0.47) GAAPOLBKDM4EALDH1A1MAPT
SCHEMBL6315181 0.78 MEN1 (0.49) GAAPOLBTSHRKDM4EALDH1A1
SCHEMBL6316006 0.75 CACNA1C (0.38) GAATSHRKDM4EALDH1A1MAPT
SCHEMBL6321503 0.74 USP2 (0.57) GAAPOLBTSHRKDM4EALDH1A1
SCHEMBL6314271 0.72 TP53 (0.47) GAAPOLBKDM4EALDH1A1HPGD
SCHEMBL6312361 0.71 ALDH1A1 (0.42) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL6312824 0.67 ABCC9 (0.55) ALDH1A1MEN1KMT2AALOX15MAPK1
SCHEMBL6312851 0.66 ALDH1A1 (0.46) GAAPOLBTSHRKDM4EALDH1A1
SCHEMBL6312587 0.66 MAPK1 (0.51) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL11068574 0.65 ABL1 (0.43) GAAPOLBKDM4EALDH1A1MAPT

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 5 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
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 GAA 687/4885POLB 142/4885TSHR 4809/4885

“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.