SCHEMBL15342201

SCHEMBL15342201

CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnc5c(c4)OCCN5C)c3)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.34
GRM5 P41594 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
RRM1 P23921 1/20 0.32
RRM2B Q7LG56 1/20 0.32

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
SCHEMBL15342608 0.95 CYP3A4 (0.35) SYKGRM5CHRM2CHRM1RRM1
SCHEMBL15342202 0.91 PTGER3 (0.34) GRM5
SCHEMBL15342209 0.90 PTGER3 (0.34)
SCHEMBL15342206 0.89 CYP3A4 (0.32)
SCHEMBL15342611 0.86 CYP3A4 (0.36) GRM5
SCHEMBL15342615 0.85 CYP3A4 (0.37)
SCHEMBL15341993 0.85 POLB (0.30)
SCHEMBL15340997 0.84 ALDH1A1 (0.34)
SCHEMBL15342612 0.84 CYP3A4 (0.36)
SCHEMBL15341001 0.84 CSF1R (0.34)

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 SYK 2826/4885GRM5 2594/4885CHRM2 3945/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 SYK 2826/4885GRM5 2594/4885CHRM2 3945/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 SYK 2826/4885GRM5 2594/4885CHRM2 3945/4885

“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.