SCHEMBL20550439

SCHEMBL20550439

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.35
CDK2 P24941 5/20 0.35
CCNE1 P24864 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CDK9 P50750 4/20 0.33
AURKA O14965 3/20 0.33
CDK4 P11802 3/20 0.33
CDK7 P50613 3/20 0.33
AURKB Q96GD4 3/20 0.33
HPGD P15428 2/20 0.33
FAAH O00519 1/20 0.33
ALOX15 P16050 1/20 0.33
CDK1 P06493 2/20 0.33

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 0.93 KDM4E (0.38) PIK3CACDK2CCNE1PIK3CDPIK3CB
SCHEMBL20550443 0.90 CNR1 (0.38) PIK3CACDK2CCNE1PIK3CDPIK3CB
SCHEMBL20550437 0.81 CDK2 (0.43) PIK3CACDK2CCNE1PIK3CDPIK3CB
SCHEMBL20550441 0.81 RAB9A (0.38) CDK2CCNE1KDM4ERAB9AGLA
SCHEMBL20550300 0.73 CDK4 (0.58) CDK2CCNE1KDM4ERAB9AGLA
SCHEMBL20550262 0.72 TNF (0.39) PIK3CACDK2CCNE1PIK3CDPIK3CB
SCHEMBL20550307 0.72 CDK2 (0.43) PIK3CACDK2CCNE1PIK3CDPIK3CB
SCHEMBL20550303 0.71 CDK2 (0.46) CDK2CCNE1KDM4ERAB9AGLA
SCHEMBL20550275 0.70 CDK2 (0.48) CDK2CCNE1KDM4ERAB9AGLA
SCHEMBL20550270 0.70 TNF (0.43) CDK2CCNE1KDM4ERAB9AGLA

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 PIK3CA 2946/4885CDK2 3199/4885CCNE1 3849/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP PIK3CA 2862/4885CDK2 3101/4885CCNE1 3790/4885

“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.