SCHEMBL13680543

SCHEMBL13680543

COc1ncc(-c2cccc(C)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.50
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
KIT P10721 1/20 0.45
GAK O14976 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.44
DHFR P00374 1/20 0.44
GRM5 P41594 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.44
ACHE P22303 1/20 0.44
IDO1 P14902 1/20 0.42
METAP2 P50579 1/20 0.42
PIK3CA P42336 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL13680651 0.80 IDO1 (0.47) MEN1HTTKMT2AACHEIDO1
SCHEMBL29914724 0.80 FTO (0.66) FTOHSD17B1HSD17B2
SCHEMBL28430998 0.80 FTO (0.66) FTOHSD17B1HSD17B2
SCHEMBL979785 0.80 MAP4K4 (0.65) FTOMEN1KITALKBH5DHFR
SCHEMBL12498936 0.79 HSD17B1 (0.67) MEN1KMT2AKITGAKPTGES2
SCHEMBL18617330 0.77 CYP4F2 (0.50) FTOALKBH5DHFRGRM5PTGES2
SCHEMBL15340960 0.77 FTO (0.46) FTOALKBH5DHFRGRM5PTGES2
SCHEMBL5112241 0.77 ACHE (0.41) MEN1HTTKMT2AKITACHE
SCHEMBL13040 0.77 MAP4K4 (0.66) MEN1KMT2AIDO1METAP2TP53
SCHEMBL15344198 0.77 EGLN1 (0.47) ACHEIDO1METAP2HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP 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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 FTO 3916/4885MEN1 2032/4885HTT 2376/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 FTO 4875/4885MEN1 2851/4885HTT 4072/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 FTO 4875/4885MEN1 2851/4885HTT 4072/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 FTO 3916/4885MEN1 2032/4885HTT 2376/4885

“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.