SCHEMBL20550434

SCHEMBL20550434

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(NC2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.50
CCND1 P24385 14/20 0.50
CDK2 P24941 12/20 0.45
CCNA2 P20248 11/20 0.45
CDK1 P06493 9/20 0.45
CCNB1 P14635 9/20 0.45
CCNA1 P78396 3/20 0.45
CCND3 P30281 11/20 0.44
CDK6 Q00534 11/20 0.44
CCNT1 O60563 8/20 0.43
CDK7 P50613 8/20 0.43
CDK9 P50750 8/20 0.43
CCNH P51946 8/20 0.43
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
IKBKB O14920 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
CCNE1 P24864 1/20 0.40
EIF2AK2 P19525 1/20 0.40

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
SCHEMBL20550289 0.99 CDK4 (0.49) CDK4CCND1CDK2CCNA2CDK1
SCHEMBL20550275 0.84 CDK2 (0.48) CDK4CDK2CCNA2CDK1CCNT1
SCHEMBL20550303 0.82 CDK2 (0.46) CDK4CDK2CCNA2CDK1CDK7
SCHEMBL20550436 0.81 CDK2 (0.46) CDK4CDK2CCNA2CDK1CDK7
SCHEMBL20550302 0.79 CDK2 (0.43) CDK4CDK2CCNA2CDK1CDK7
SCHEMBL20550307 0.79 CDK2 (0.43) CDK4CDK2CCNA2CDK1CDK7
SCHEMBL20550266 0.78 PIK3CA (0.41) CDK4CDK2CCNA2CDK1CDK6
SCHEMBL20550118 0.78 CDK2 (0.42) CDK4CDK2CCNA2CDK1CDK7
SCHEMBL20550300 0.76 CDK4 (0.58) CDK4CDK2MAPK9CCNE1
SCHEMBL20550270 0.75 TNF (0.43) CDK4CDK2CDK1CDK7CDK9

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 CDK4 1555/4885CCND1 4177/4885CDK2 3199/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP CDK4 1506/4885CCND1 4212/4885CDK2 3101/4885

“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.