SCHEMBL7518296

SCHEMBL7518296

CC(=O)Nc1ncc(-c2[nH]cnc2-c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.50
IDO1 P14902 2/20 0.49
GSTO1 P78417 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 1/20 0.47
CCNE1 P24864 3/20 0.46
CDK2 P24941 3/20 0.46
CDK5 Q00535 1/20 0.46
SCD O00767 1/20 0.46
LIMK1 P53667 1/20 0.45
ACP1 P24666 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
CCNE2 O96020 2/20 0.44
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
NR4A2 P43354 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5840422 0.81 KDR (0.72) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL30142626 0.72 KDR (0.65) KDRGSTO1KDM4ECCNE1CDK2
SCHEMBL24074022 0.72 KDR (0.65) KDRGSTO1KDM4ECCNE1CDK2
SCHEMBL17632040 0.68 ABL1 (0.62) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL17014785 0.68 KDR (0.68) KDRGSTO1MAPTCCNE1CDK2
SCHEMBL2256136 0.67 KDR (0.72) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL10252594 0.67 KDR (1.00) KDRGSTO1MAPTCCNE1CDK2
SCHEMBL24278323 0.67 IDO1 (0.53) IDO1KDM4EMAPTCYP3A4ALDH1A1
SCHEMBL224770 0.67 KDM4E (1.00) IDO1KDM4EMAPTCYP3A4ALDH1A1
SCHEMBL15086878 0.66 ALOX5 (0.74) GSTO1KDM4EMAPTALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases RAWLINS DAVID B (US) 2002-11-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases CCNK, CDK2, CCNL2 KDR 857/4885IDO1 2331/4885GSTO1 1702/4885

“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.