SCHEMBL20550435

SCHEMBL20550435

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(NC(=N)c2ccccn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.39
CDK4 P11802 11/20 0.39
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
PLK1 P53350 3/20 0.37
CCND1 P24385 1/20 0.36
AURKA O14965 2/20 0.36
CDK1 P06493 2/20 0.36
CDK7 P50613 2/20 0.36
CDK9 P50750 2/20 0.36
AURKB Q96GD4 1/20 0.36
CCNA2 P20248 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20550307 0.85 CDK2 (0.43) CDK2CDK4TNFNOD1PLK1
SCHEMBL20550302 0.85 CDK2 (0.43) CDK2CDK4TNFNOD1PLK1
SCHEMBL20550440 0.83 CDK2 (0.39) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550699 0.82 CDK2 (0.41) CDK2CDK4TNFNOD1PLK1
SCHEMBL20550303 0.81 CDK2 (0.46) CDK2CDK4TNFNOD1PLK1
SCHEMBL20550275 0.80 CDK2 (0.48) CDK2CDK4TNFNOD1PLK1
SCHEMBL20550266 0.80 PIK3CA (0.41) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550437 0.79 CDK2 (0.43) CDK2CDK4PLK1CCND1AURKA
SCHEMBL20550436 0.77 CDK2 (0.46) CDK2CDK4TNFNOD1PLK1
SCHEMBL20550300 0.75 CDK4 (0.58) CDK2CDK4TNFNOD1AURKB

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 2 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-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 CDK2 3199/4885CDK4 1555/4885TNF 3808/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP CDK2 3101/4885CDK4 1506/4885TNF 3975/4885

“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.