SCHEMBL20550307

SCHEMBL20550307

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.43
CDK4 P11802 12/20 0.41
PLK1 P53350 3/20 0.41
AURKA O14965 3/20 0.41
CDK1 P06493 3/20 0.41
CDK7 P50613 3/20 0.41
CDK9 P50750 3/20 0.41
AURKB Q96GD4 2/20 0.41
CCNA2 P20248 1/20 0.40
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
CCNE1 P24864 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL20550302 0.91 CDK2 (0.43) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550699 0.89 CDK2 (0.41) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550303 0.86 CDK2 (0.46) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550275 0.86 CDK2 (0.48) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550266 0.86 PIK3CA (0.41) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550435 0.85 CDK2 (0.39) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550437 0.84 CDK2 (0.43) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550440 0.83 CDK2 (0.39) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550436 0.82 CDK2 (0.46) CDK2CDK4PLK1AURKACDK1
SCHEMBL20550300 0.80 CDK4 (0.58) CDK2CDK4AURKBTNFNOD1

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 1555/4885PLK1 1631/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP CDK2 3101/4885CDK4 1506/4885PLK1 1454/4885

“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.