SCHEMBL20550438

SCHEMBL20550438

Cc1nc(-c2ccc(I)cc2)sc1-c1ccnc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.61
CDK2 P24941 2/20 0.61
CCNE1 P24864 1/20 0.61
ROCK1 Q13464 11/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
PRKACA P17612 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
ROS1 P08922 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MARK3 P27448 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45

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
SCHEMBL20550300 0.84 CDK4 (0.58) CDK4CDK2CCNE1ROCK1KDM4E
SCHEMBL25340174 0.83 CDK2 (0.57) CDK4CDK2CCNE1ROCK1KDM4E
SCHEMBL30381082 0.83 CDK2 (0.57) CDK4CDK2CCNE1ROCK1KDM4E
SCHEMBL20550116 0.82 CDK2 (0.56) CDK4CDK2CCNE1ROCK1KDM4E
SCHEMBL20550431 0.82 CDK2 (0.56) CDK4CDK2CCNE1ROCK1KDM4E
SCHEMBL20550294 0.81 CDK4 (0.54) CDK4CDK2CCNE1ROCK1KDM4E
SCHEMBL20550293 0.81 CDK4 (0.54) CDK4CDK2CCNE1ROCK1KDM4E
SCHEMBL20550276 0.80 CDK4 (0.53) CDK4CDK2CCNE1ROCK1KDM4E
SCHEMBL20550120 0.79 CDK4 (0.52) CDK4CDK2CCNE1ROCK1KDM4E
SCHEMBL20550305 0.79 CDK4 (0.52) CDK4CDK2CCNE1ROCK1KDM4E

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
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2018-11-08 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-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF TPMT, TST, CLPP CDK4 1555/4885CDK2 3199/4885CCNE1 3849/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP CDK4 1506/4885CDK2 3101/4885CCNE1 3790/4885

“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.