SCHEMBL18225736

SCHEMBL18225736

O=C(Nc1ccc(F)c(OC(F)(F)F)c1)c1ccnc2nc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 3/20 0.47
▸ TYRO3 Q06418 3/20 0.47
▸ MERTK Q12866 3/20 0.47
▸ KDR P35968 4/20 0.44
▸ FLT3 P36888 1/20 0.43
▸ BRAF P15056 5/20 0.43
▸ MET P08581 2/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP3A5 P20815 2/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ GRM4 Q14833 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ PBK Q96KB5 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
SCHEMBL18225652 0.87 GRM4 (0.56) AXLTYRO3MERTKFLT3MET
SCHEMBL18225708 0.87 FLT3 (0.39) AXLTYRO3MERTKKDRFLT3
SCHEMBL18236824 0.87 FLT3 (0.39) AXLTYRO3MERTKKDRFLT3
SCHEMBL18225709 0.87 FLT3 (0.39) AXLTYRO3MERTKKDRFLT3
SCHEMBL18225392 0.84 GRM4 (0.55) AXLTYRO3MERTKKDRBRAF
SCHEMBL18226359 0.82 BRAF (0.55) KDRBRAFCYP3A4CYP3A5
SCHEMBL18224869 0.81 FADS1 (0.50) AXLTYRO3MERTKKDRBRAF
SCHEMBL18225089 0.81 CYP3A4 (0.46) AXLTYRO3MERTKKDRFLT3
SCHEMBL18226125 0.79 AXL (0.44) AXLTYRO3MERTKKDRFLT3
SCHEMBL18226100 0.79 GRM4 (0.56) AXLTYRO3MERTKKDRCYP3A4

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-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 — — EP disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 — — EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
EP-3294732-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Gilead Sciences, Inc. (US) 2018-03-21 — — EP disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 — — WO disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 — — WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 — — US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 — — 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 (1 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-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT AXL 3327/4885TYRO3 2473/4885MERTK 2951/4885

“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.

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