SCHEMBL20550437

SCHEMBL20550437

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(NC(=N)N2CCN(C)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.43
CCNE1 P24864 2/20 0.43
CDK9 P50750 11/20 0.39
CDK4 P11802 10/20 0.39
CDK7 P50613 7/20 0.39
AURKA O14965 7/20 0.39
AURKB Q96GD4 6/20 0.39
CDK1 P06493 6/20 0.39
WEE1 P30291 3/20 0.39
ALK Q9UM73 2/20 0.39
CCNT1 O60563 6/20 0.38
CCNA2 P20248 5/20 0.38
CDK6 Q00534 5/20 0.38
CCND1 P24385 4/20 0.38
CCND3 P30281 4/20 0.38
CCNB1 P14635 2/20 0.38
CCNH P51946 2/20 0.38
FLT4 P35916 1/20 0.37
CHEK1 O14757 2/20 0.37
DAPK3 O43293 2/20 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
SCHEMBL20550266 0.93 PIK3CA (0.41) CDK2CCNE1CDK9CDK4CDK7
SCHEMBL20550444 0.90 CDK2 (0.45) CDK2CCNE1CDK9CDK4CDK7
SCHEMBL20550302 0.84 CDK2 (0.43) CDK2CCNE1CDK9CDK4CDK7
SCHEMBL20550307 0.84 CDK2 (0.43) CDK2CCNE1CDK9CDK4CDK7
SCHEMBL20550699 0.82 CDK2 (0.41) CDK2CCNE1CDK9CDK4CDK7
SCHEMBL20550439 0.81 PIK3CA (0.35) CDK2CCNE1CDK9CDK4CDK7
SCHEMBL20550303 0.80 CDK2 (0.46) CDK2CCNE1CDK9CDK4CDK7
SCHEMBL20550275 0.80 CDK2 (0.48) CDK2CCNE1CDK9CDK4CDK7
SCHEMBL20550435 0.79 CDK2 (0.39) CDK2CDK9CDK4CDK7AURKA
SCHEMBL20550434 0.77 CDK4 (0.50) CDK2CCNE1CDK9CDK4CDK7

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 3199/4885CCNE1 3849/4885CDK9 3771/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP CDK2 3101/4885CCNE1 3790/4885CDK9 3671/4885

“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.