SCHEMBL20550696

SCHEMBL20550696

CCCCc1ccc(-c2nc(C)c(-c3ccnc(NC#N)n3)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.39
CDK2 P24941 15/20 0.39
CDK4 P11802 11/20 0.39
AURKA O14965 6/20 0.39
CDK9 P50750 6/20 0.39
CDK1 P06493 5/20 0.39
CDK7 P50613 5/20 0.39
AURKB Q96GD4 5/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
COMT P21964 2/20 0.37
PLK1 P53350 3/20 0.37
CCNA2 P20248 1/20 0.37
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNE1 P24864 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL20550291 0.88 CDK2 (0.46) MKNK2CDK2CDK4AURKACDK9
SCHEMBL20550428 0.86 CDK2 (0.41) MKNK2CDK2CDK4AURKACDK9
SCHEMBL20550108 0.82 MEN1 (0.41) MKNK2CDK2CDK4AURKACDK9
SCHEMBL20550269 0.82 CDK2 (0.40) MKNK2CDK2CDK4AURKACDK9
SCHEMBL20550274 0.80 COMT (0.41) MKNK2CDK2CDK4AURKACDK9
SCHEMBL20550293 0.80 CDK4 (0.54) MKNK2CDK2CDK4AURKBCOMT
SCHEMBL20550114 0.80 CDK2 (0.39) MKNK2CDK2CDK4AURKACDK9
SCHEMBL20550693 0.78 KDM4E (0.40) MKNK2CDK2CDK4COMTKDM4E
SCHEMBL20550442 0.77 COMT (0.39) CDK2CDK4AURKACDK9CDK1
SCHEMBL20550326 0.75 ALDH1A1 (0.47) COMTKDM4ERAB9AL3MBTL1NPC1

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 MKNK2 1090/4885CDK2 3199/4885CDK4 1555/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP MKNK2 1037/4885CDK2 3101/4885CDK4 1506/4885

“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.