SCHEMBL18225486

SCHEMBL18225486

ON=C(Nc1cc(F)cc(C(F)(F)F)c1)c1ccnc2nc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.41
▸ CYP3A5 P20815 2/20 0.41
▸ KDR P35968 8/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ BRAF P15056 4/20 0.38
▸ XPO1 O14980 1/20 0.37
▸ GRM4 Q14833 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35

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
SCHEMBL18225485 1.00 CYP3A4 (0.41) CYP3A4CYP3A5KDRRIPK1BRAF
SCHEMBL18236775 1.00 CYP3A4 (0.41) CYP3A4CYP3A5KDRRIPK1BRAF
SCHEMBL18225533 0.87 CYP3A4 (0.42) CYP3A4CYP3A5KDRBRAF
SCHEMBL18225534 0.87 CYP3A4 (0.42) CYP3A4CYP3A5KDRBRAF
SCHEMBL18225799 0.86 KDR (0.47) CYP3A4CYP3A5KDRBRAF
SCHEMBL18225800 0.86 KDR (0.47) CYP3A4CYP3A5KDRBRAF
SCHEMBL18226011 0.85 CYP3A4 (0.42) CYP3A4CYP3A5AXLTYRO3MERTK
SCHEMBL18226010 0.85 CYP3A4 (0.42) CYP3A4CYP3A5AXLTYRO3MERTK
SCHEMBL18236688 0.85 CYP3A4 (0.42) CYP3A4CYP3A5AXLTYRO3MERTK
SCHEMBL18225565 0.83 CYP3A4 (0.48) CYP3A4CYP3A5AXLTYRO3MERTK

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 8 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 claimed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US claimed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 — — US claimed
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
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
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 CYP3A4 245/4885CYP3A5 225/4885KDR 3589/4885

“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.

Send feedback