SCHEMBL15340992

SCHEMBL15340992

CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc(N5CCN(C)CC5)nc4)c3)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
DYRK1A Q13627 9/20 0.35
WNT1 P04628 6/20 0.35
GSK3B P49841 4/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
BRD4 O60885 1/20 0.34
RAB9A P51151 1/20 0.34
ADK P55263 1/20 0.33
ZAP70 P43403 1/20 0.33
CYP3A4 P08684 1/20 0.33
PLK1 P53350 1/20 0.33
KDR P35968 1/20 0.33
ETV6 P41212 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MELK Q14680 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL15341109 0.95 ACVR1B (0.36) ACVR1BTGFBR1DYRK1AWNT1GSK3B
SCHEMBL19906082 0.95 ACVR1B (0.36) ACVR1BTGFBR1DYRK1AWNT1GSK3B
SCHEMBL15340989 0.93 USP2 (0.34) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL15342031 0.92 DYRK1A (0.39) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL15341046 0.91 BRD4 (0.36) DYRK1ABRD4RAB9AMELK
SCHEMBL15341983 0.89 DYRK1A (0.36) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL15341102 0.88 CYP3A4 (0.35) BRD4CYP3A4
SCHEMBL15342087 0.87 BRD4 (0.36) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL15342084 0.87 BRD4 (0.36) DYRK1AWNT1GSK3BBRD4CYP3A4
SCHEMBL15341001 0.87 CSF1R (0.34) CYP3A4KDR

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 7 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-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 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 (5 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 ACVR1B 4089/4885TGFBR1 4545/4885DYRK1A 4870/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ACVR1B 568/4885TGFBR1 4701/4885DYRK1A 4880/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ACVR1B 4089/4885TGFBR1 4545/4885DYRK1A 4870/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ACVR1B 4089/4885TGFBR1 4545/4885DYRK1A 4870/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ACVR1B 568/4885TGFBR1 4701/4885DYRK1A 4880/4885

“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.