SCHEMBL20550436

SCHEMBL20550436

CCNc1nccc(-c2sc(-c3ccc(C(C)(C)C)cc3)nc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.46
CDK4 P11802 10/20 0.46
AURKA O14965 7/20 0.46
CDK9 P50750 7/20 0.46
AURKB Q96GD4 6/20 0.46
CDK7 P50613 6/20 0.46
CDK1 P06493 5/20 0.46
WEE1 P30291 2/20 0.43
FLT3 P36888 2/20 0.43
ALK Q9UM73 2/20 0.43
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 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
SCHEMBL20550275 0.88 CDK2 (0.48) CDK2CDK4AURKACDK9AURKB
SCHEMBL20550118 0.88 CDK2 (0.42) CDK2CDK4AURKACDK9AURKB
SCHEMBL20550303 0.86 CDK2 (0.46) CDK2CDK4AURKACDK9AURKB
SCHEMBL20550307 0.82 CDK2 (0.43) CDK2CDK4AURKACDK9AURKB
SCHEMBL20550302 0.82 CDK2 (0.43) CDK2CDK4AURKACDK9AURKB
SCHEMBL20550434 0.81 CDK4 (0.50) CDK2CDK4CDK9CDK7CDK1
SCHEMBL20550699 0.80 CDK2 (0.41) CDK2CDK4AURKACDK9AURKB
SCHEMBL20550300 0.80 CDK4 (0.58) CDK2CDK4AURKBMAP4K4PRKACA
SCHEMBL20550270 0.79 TNF (0.43) CDK2CDK4AURKACDK9AURKB
SCHEMBL20550287 0.78 TNF (0.42) CDK2CDK4AURKACDK9AURKB

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 3199/4885CDK4 1555/4885AURKA 3027/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP CDK2 3101/4885CDK4 1506/4885AURKA 2962/4885

“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.