SCHEMBL14664160

SCHEMBL14664160

Cn1cnc(CC(=O)C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 1/20 0.46
MTOR P42345 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
S1PR1 P21453 1/20 0.33
HPGDS O60760 1/20 0.33
SCN9A Q15858 1/20 0.32
NTRK1 P04629 1/20 0.32
ACACB O00763 1/20 0.32
NAMPT P43490 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
CPB2 Q96IY4 3/20 0.31
CPB1 P15086 1/20 0.31
ALDH1A1 P00352 4/20 0.30
NPC1 O15118 2/20 0.30
MITF O75030 2/20 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
SCHEMBL12174842 0.79 CYP2C9 (0.50) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL876467 0.79 CYP2C9 (0.50) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL27340963 0.79 CYP2C9 (0.50) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL14551511 0.78 CYP2C9 (0.42) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL7842865 0.78 CYP2C9 (0.48) CYP2C9CYP2C19TSHRMTORHRH4
Hydrochloric Acid SCHEMBL1373085 0.78 TDP1 (0.52) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL2176873 0.78 CYP2C9 (0.53) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL14665172 0.76 CYP2C9 (0.47) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL10272325 0.76 CYP2C9 (0.40) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL12158515 0.75 CYP2C9 (0.46) CYP2C9CYP2C19TSHRMTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (4 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 CYP2C9 4352/4885CYP2C19 4578/4885TSHR 2922/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CYP2C9 2875/4885CYP2C19 3727/4885TSHR 4457/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CYP2C9 2875/4885CYP2C19 3727/4885TSHR 4457/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 CYP2C9 4352/4885CYP2C19 4578/4885TSHR 2922/4885

“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.