SCHEMBL13680644

SCHEMBL13680644

Cc1cccc(-c2cnc(N(C)C)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.44
NISCH Q9Y2I1 2/20 0.42
IDO1 P14902 1/20 0.42
METAP2 P50579 1/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN1 Q05586 1/20 0.42
EGFR P00533 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
GRM5 P41594 2/20 0.41
RAB9A P51151 1/20 0.41
MAP4K4 O95819 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40

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) IDO1METAP2RAB9AMAP4K4
SCHEMBL2643560 0.80 MAP4K4 (0.65) DHFRMETAP2RAB9AMAP4K4
SCHEMBL8265012 0.79 APP (0.50) GRIN2BGRIN1EGFRRAB9AMAP4K4
SCHEMBL21729930 0.78 GRM5 (0.57) DHFRGRM5RAB9A
SCHEMBL15340936 0.77 ATM (0.44) DHFRGRIN2BGRIN1GRM5MAP4K4
SCHEMBL20049844 0.77 MAP4K4 (0.49) NISCHIDO1METAP2GRIN2BGRIN1
SCHEMBL14266225 0.77 CLK4 (0.53) NISCHMAP4K4HSD17B2
SCHEMBL15344198 0.77 EGLN1 (0.47) IDO1METAP2RAB9AMAP4K4HSD17B1
SCHEMBL13040 0.77 MAP4K4 (0.66) NISCHIDO1METAP2RAB9AMAP4K4
SCHEMBL13140977 0.76 NPSR1 (0.43) NISCHMETAP2GRM5RAB9A

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-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 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 DHFR 62/4885NISCH 983/4885IDO1 3864/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 DHFR 53/4885NISCH 1705/4885IDO1 1405/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 DHFR 53/4885NISCH 1705/4885IDO1 1405/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 DHFR 62/4885NISCH 983/4885IDO1 3864/4885

“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.