SCHEMBL2690664

SCHEMBL2690664

CC(=O)Nc1ncc(C#N)s1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.53
KDR P35968 5/20 0.46
CCNE1 P24864 5/20 0.44
CDK2 P24941 5/20 0.44
CDK1 P06493 2/20 0.44
CDK4 P11802 2/20 0.44
DYRK1A Q13627 1/20 0.44
CCNE2 O96020 4/20 0.43
CCNB2 O95067 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL30685441 0.82 FFAR2 (0.50) FFAR2KDRCCNE1CDK2
SCHEMBL24074021 0.81 FFAR2 (0.45) FFAR2KDR
SCHEMBL30142679 0.81 FFAR2 (0.45) FFAR2KDR
SCHEMBL4394535 0.79 FFAR2 (0.49) FFAR2KDR
SCHEMBL15871383 0.79 AOC3 (0.42) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL31282374 0.79 FFAR2 (0.52) FFAR2KDRCCNE1CDK2CDK1
SCHEMBL4962455 0.77 MEN1 (0.52)
SCHEMBL15941111 0.76 FFAR2 (0.45) FFAR2
SCHEMBL15940820 0.76 CA12 (0.46) FFAR2
SCHEMBL12562416 0.76

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168642-B2 Dihydropyrimidine compounds and their uses in preparation of medicaments for treating and preventing antiviral diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2012-05-01 US disclosed
US-20100087448-A1 Dihydropyrimidine Compounds and Their Uses in Preparation of Medicaments for Treating and Preventing Antiviral Diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2010-04-08 US disclosed
EP-2039686-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES IN PREPARATION OF MEDICAMENTS FOR TREATING AND PREVENTING ANTIVIRAL DISEASES Beijing Molecule Science and Technology Co., Ltd. (CN) 2009-03-25 EP disclosed
US-4324899-A 2-Amino-5-cyanothiazoles and their preparation EASTMAN KODAK COMPANY (US) 1982-04-13 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-20100087448-A1 Dihydropyrimidine Compounds and Their Uses in Preparation of Medicaments for Treating and Preventing Antiviral Diseases DPYD, HPRT1, DHX15 FFAR2 4715/4885KDR 4353/4885CCNE1 1591/4885

“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.