SCHEMBL2749580

SCHEMBL2749580

O=C(O)c1ccnc2nc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 6/20 0.50
▸ KDM4C Q9H3R0 3/20 0.50
▸ CAMKK2 Q96RR4 1/20 0.50
▸ PBK Q96KB5 4/20 0.49
▸ CYP3A4 P08684 6/20 0.47
▸ CYP3A5 P20815 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ KDM5B Q9UGL1 5/20 0.44
▸ TOP2A P11388 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ KDM4A O75164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ASPH Q12797 1/20 0.42
▸ KDM8 Q8N371 1/20 0.42

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
SCHEMBL2005974 0.84 PBK (0.48) CAMKK2PBKCYP3A4CYP3A5ALDH1A1
SCHEMBL2005978 0.84 PBK (0.50) CAMKK2PBKCYP3A4CYP3A5ALDH1A1
SCHEMBL18225106 0.80 PBK (0.50) PBKCYP3A4CYP3A5ALDH1A1KDM4E
SCHEMBL18225384 0.78 CYP3A4 (0.61) PBKCYP3A4CYP3A5
SCHEMBL18225726 0.76 PBK (0.44) PBKCYP3A4CYP3A5ALDH1A1
SCHEMBL18248915 0.76 EGFR (0.47) PBKCYP3A4CYP3A5ALDH1A1KDM4E
SCHEMBL18248944 0.74 PBK (0.42) PBKCYP3A4CYP3A5ALDH1A1
SCHEMBL18248945 0.74 PBK (0.42) PBKCYP3A4CYP3A5ALDH1A1
SCHEMBL11662555 0.73 KDM4C (0.49) KDM5AKDM4CCAMKK2ALDH1A1KDM5B
SCHEMBL18224844 0.73 CYP3A4 (0.64) PBKCYP3A4CYP3A5

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704103-A1 KINASE INHIBITORS FOR THE TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS University of Miami (US) 2020-09-09 — — 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
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-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 — — US disclosed
US-8183241-B2 2-oxo-1-pyrrolidine derivatives UCB PHARMA, S.A. (BE) 2012-05-22 — — US disclosed
US-8178533-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2012-05-15 — — US disclosed
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2009-12-17 — — US disclosed
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES UCB, S.A. (BE) 2009-06-18 — — US disclosed
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 — — EP disclosed
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 — — EP disclosed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 — — WO disclosed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 — — WO disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 — — 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-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT KDM5A 204/4885KDM4C 782/4885CAMKK2 2702/4885
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 KDM5A 971/4885KDM4C 1614/4885CAMKK2 2764/4885
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 KDM5A 971/4885KDM4C 1614/4885CAMKK2 2764/4885
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 KDM5A 999/4885KDM4C 1773/4885CAMKK2 2146/4885

“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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