SCHEMBL3945104

SCHEMBL3945104

CN(C)C(=O)C=Cc1cncs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
NR4A2 P43354 1/20 0.35
NLRP3 Q96P20 1/20 0.34
PIM1 P11309 1/20 0.33
RAB9A P51151 1/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL4572964 0.80 GLA (0.38) NLRP3PIM1RAB9AALDH1A1LMNA
SCHEMBL4572963 0.80 GLA (0.38) NLRP3PIM1RAB9AALDH1A1LMNA
SCHEMBL2522174 0.78 HCAR2 (0.48) NLRP3PIM1RAB9A
SCHEMBL2522171 0.78 HCAR2 (0.48) NLRP3PIM1RAB9A
SCHEMBL6297811 0.76 PIK3CD (0.37) NLRP3PIM1RAB9ACYP19A1
SCHEMBL6297810 0.76 PIK3CD (0.37) NLRP3PIM1RAB9ACYP19A1
SCHEMBL9255626 0.76 KMT2A (0.49) CCNCCDK8NLRP3RAB9AALDH1A1
SCHEMBL9255628 0.76 KMT2A (0.49) CCNCCDK8NLRP3RAB9AALDH1A1
SCHEMBL3164680 0.70 HCAR2 (0.62) RAB9AALDH1A1LMNAMAPT
SCHEMBL1556671 0.70 PFKFB3 (0.53) ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922309-B1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO LTD (KR) 2014-05-21 EP disclosed
US-7501424-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL-YANG PHARM. CO., LTD. (KR) 2009-03-10 US disclosed
US-20080096899-A1 N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof IL-YANG PHARM. CO., LTD. (KR) 2008-04-24 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-20080096899-A1 N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof ITPA, TYMP, THPO CCNC 560/4885CDK8 1739/4885NR4A2 1664/4885

“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.