SCHEMBL20550443

SCHEMBL20550443

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N=C(N)N2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CDK2 P24941 7/20 0.37
CDK9 P50750 6/20 0.37
CDK1 P06493 4/20 0.37
CCNT1 O60563 4/20 0.37
CCNA2 P20248 3/20 0.37
CCNB1 P14635 2/20 0.37
CDK7 P50613 2/20 0.37
CCNH P51946 2/20 0.37
AURKA O14965 4/20 0.37
CDK4 P11802 4/20 0.37
AURKB Q96GD4 4/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CIT O14578 1/20 0.37
CHEK1 O14757 1/20 0.37
GAK O14976 1/20 0.37
EPHB6 O15197 1/20 0.37
PDPK1 O15530 1/20 0.37
DAPK3 O43293 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
SCHEMBL20550264 0.92 KDM4E (0.38) CDK2CDK9CDK1CDK7AURKA
SCHEMBL20550439 0.90 PIK3CA (0.35) CDK2CDK9CDK1CCNT1CCNA2
SCHEMBL20550444 0.81 CDK2 (0.45) CNR1CDK2CDK9CDK1CCNT1
SCHEMBL20550109 0.79 PIK3CA (0.46) CDK2CDK9CDK1CCNT1CCNA2
SCHEMBL20550441 0.78 RAB9A (0.38) CDK2CDK9CDK1CCNA2CDK7
SCHEMBL20550300 0.73 CDK4 (0.58) CDK2CDK4AURKBCDC7PLK4
SCHEMBL20550262 0.72 TNF (0.39) CDK2CDK9CDK1AURKACDK4
SCHEMBL20550307 0.71 CDK2 (0.43) CDK2CDK9CDK1CCNA2CDK7
SCHEMBL20550303 0.70 CDK2 (0.46) CDK2CDK9CDK1CCNA2CDK7
SCHEMBL20550275 0.70 CDK2 (0.48) CDK2CDK9CDK1CCNT1CCNA2

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 CNR1 4566/4885CDK2 3199/4885CDK9 3771/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP CNR1 4546/4885CDK2 3101/4885CDK9 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.