SCHEMBL18224844

SCHEMBL18224844

O=C(Nc1ccc(Br)cc1)c1ccnc2nc[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 13/20 0.64
▸ CYP3A5 P20815 5/20 0.64
▸ PBK Q96KB5 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL18225666 0.86 CYP3A4 (0.64) CYP3A4CYP3A5PBK
SCHEMBL18224773 0.86 CYP3A4 (0.55) CYP3A4CYP3A5PBKKMT2A
SCHEMBL18224735 0.86 MAPT (0.57) CYP3A4CYP3A5PBKNPC1RAB9A
SCHEMBL18225384 0.86 CYP3A4 (0.61) CYP3A4CYP3A5PBK
SCHEMBL18227156 0.85 CYP3A4 (0.64) CYP3A4CYP3A5PBKNPC1RAB9A
SCHEMBL18224704 0.83 MAPT (0.51) CYP3A4CYP3A5PBKNPC1RAB9A
SCHEMBL18225089 0.83 CYP3A4 (0.46) CYP3A4CYP3A5PBK
SCHEMBL18226376 0.83 BRAF (0.49) CYP3A4CYP3A5PBK
SCHEMBL18233647 0.83 CYP3A4 (0.56) CYP3A4CYP3A5
SCHEMBL18225664 0.83 CYP3A4 (0.56) CYP3A4CYP3A5

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 10 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
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 225/4885PBK 2547/4885

“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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