SCHEMBL6312824

SCHEMBL6312824

CC1=C(C#N)C(c2ccc(F)c(Br)c2)NC(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 17/20 0.55
KCNJ11 Q14654 17/20 0.55
ABCC8 Q09428 16/20 0.55
KCNJ8 Q15842 16/20 0.55
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6314271 0.80 TP53 (0.47) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL6312587 0.80 MAPK1 (0.51) MEN1KMT2AALDH1A1ALOX15MAPK1
SCHEMBL6312851 0.76 ALDH1A1 (0.46) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL10113484 0.76 GAA (0.62) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL6321503 0.76 USP2 (0.57) ALDH1A1
SCHEMBL7098825 0.75 ABCC9 (0.66) ABCC9KCNJ11ABCC8KCNJ8ALDH1A1
SCHEMBL7104751 0.74 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6315181 0.74 MEN1 (0.49) MEN1KMT2AALDH1A1ALOX15
SCHEMBL10113470 0.73 GAA (0.71) MEN1KMT2AALDH1A1
SCHEMBL6314041 0.73 GUSB (0.46) ALDH1A1

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 ABCC9 1305/4885KCNJ11 2455/4885ABCC8 1508/4885

“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.