SCHEMBL6315181

SCHEMBL6315181

CC1=C(C#N)C(c2ccccc2Br)NC(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 4/20 0.43
EGFR P00533 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
CDK1 P06493 1/20 0.39
MARK3 P27448 1/20 0.39
AXL P30530 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
MARK2 Q7KZI7 1/20 0.39
SLK Q9H2G2 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL6321503 0.80 USP2 (0.57) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL6312063 0.78 GAA (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6314271 0.76 TP53 (0.47) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL19732924 0.76 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19732925 0.76 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6312587 0.76 MAPK1 (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6316060 0.74 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6312824 0.74 ABCC9 (0.55) MEN1KMT2AALDH1A1ALOX15
SCHEMBL19752708 0.71 MEN1 (0.79) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5343069 0.71 MEN1 (0.79) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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 7 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-6809102-B2 FOR THERAPY OF PROLIFERATIVE DISEASES, SUCH AS CANCER; TO INTERRUPT MITOSIS BRISTOL-MYERS SQUIBB COMPANY 2004-10-26 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
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
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 MEN1 1168/4885KMT2A 1829/4885KDM4E 1638/4885
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 MEN1 1632/4885KMT2A 2007/4885KDM4E 1839/4885

“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.