SCHEMBL16587274

SCHEMBL16587274

CC(C)(C)c1cc2[nH]ncc2s1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 7/20 0.38
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
PDPK1 O15530 1/20 0.33
TRPA1 O75762 1/20 0.33
CHEK1 O14757 1/20 0.31
ALDH1A1 P00352 1/20 0.30
IDO1 P14902 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL20383508 0.81 METAP2 (0.41) TRPA1CHEK1METAP2
SCHEMBL8272426 0.71 RPS6KB1 (0.39) RPS6KB1PDPK1TRPA1CHEK1ALDH1A1
SCHEMBL24591046 0.69 MET (0.39) RPS6KB1TRPA1CHEK1ALDH1A1IDO1
SCHEMBL2706397 0.69 STS (0.36) ERCC5FEN1PDPK1ALDH1A1
SCHEMBL6197138 0.68 MAPT (0.38) RPS6KB1TRPA1ALDH1A1METAP2
SCHEMBL12489731 0.67 CSNK2A2 (0.47) RPS6KB1ALDH1A1
SCHEMBL2178433 0.67 CHEK1 (0.32) CHEK1ALDH1A1
SCHEMBL16282718 0.67 ERCC5 (0.39) ERCC5FEN1PDPK1
SCHEMBL24656024 0.67 ERCC5 (0.36) ERCC5FEN1PDPK1
SCHEMBL1623991 0.66 CYP2A6 (0.47) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2021-05-27 US disclosed
US-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2017-02-02 US disclosed
US-20150368271-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2015-12-24 US disclosed
US-8987269-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2015-03-24 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 (3 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-20150368271-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 RPS6KB1 4366/4885ERCC5 2908/4885FEN1 3014/4885
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 RPS6KB1 4366/4885ERCC5 2908/4885FEN1 3014/4885
US-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 RPS6KB1 4366/4885ERCC5 2908/4885FEN1 3014/4885

“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.