SCHEMBL3714541

SCHEMBL3714541

O=c1[nH]c2ncccc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DAO P14920 8/20 1.00
RIPK1 Q13546 9/20 0.55
DDO Q99489 3/20 0.53
AURKA O14965 1/20 0.47
PARP1 P09874 1/20 0.47

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
SCHEMBL15528142 0.79 DAO (0.65) DAORIPK1AURKAPARP1
SCHEMBL21226786 0.79 DAO (0.65) DAORIPK1AURKAPARP1
SCHEMBL671495 0.79 DAO (0.65) DAORIPK1AURKAPARP1
SCHEMBL668758 0.79 DAO (0.65) DAORIPK1AURKAPARP1
SCHEMBL29756947 0.79 DAO (0.65) DAORIPK1AURKAPARP1
SCHEMBL1574005 0.79 DAO (0.65) DAORIPK1AURKAPARP1
SCHEMBL435130 0.79 DAO (0.65) DAORIPK1AURKAPARP1
SCHEMBL373592 0.78 DAO (0.64) DAORIPK1AURKAPARP1
SCHEMBL30678374 0.77 DAO (0.62) DAORIPK1
SCHEMBL27680363 0.77 DAO (0.62) DAORIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548031-B1 TRICYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-19 EP disclosed
US-11358711-B2 Tetracyclic heterocycle compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-14 US disclosed
EP-3377065-B1 SPIROCYCLIC PYRIDOTRIAZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2022-05-18 EP disclosed
CN-110214142-B Tetracyclic heterocyclic compounds useful as HIV integrase inhibitors 默沙东公司 2022-04-01 CN disclosed
EP-3397639-B1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
CN-108473494-A Fused tricyclic heterocycles compound as hiv integrase inhibitor 默沙东公司 2018-08-31 CN disclosed
US-9468669-B2 Methods to treat dysregulated blood glucose disorders REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-10-18 US disclosed
US-9468669-B2 Methods to treat dysregulated blood glucose disorders REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-10-18 US disclosed
US-20160228515-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-08-11 US disclosed
US-20160228515-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-08-11 US disclosed
US-20150150836-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA 2015-06-04 US disclosed
EP-2391212-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
WO-2010088167-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
EP-1467970-B1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-08-22 EP disclosed
EP-1467970-A4 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2005-12-21 EP disclosed
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 US disclosed
EP-1467970-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2004-10-20 EP disclosed
WO-2003062204-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
US-4103257-A BLUE TO NEAR ULTRAVIOLET THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1978-07-25 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-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors HCLS1, POLR2A, CCNT1 DAO 2949/4885RIPK1 2862/4885DDO 3809/4885
US-11358711-B2 Tetracyclic heterocycle compounds useful as HIV integrase inhibitors TYMP, IDH1, CCNE1 DAO 2344/4885RIPK1 1482/4885DDO 3265/4885
US-20150150836-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS SLC2A4, SLC2A2, SLC2A3 DAO 3050/4885RIPK1 3748/4885DDO 2128/4885
US-20160228515-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS SLC2A4, SLC2A2, SLC2A3 DAO 3050/4885RIPK1 3748/4885DDO 2128/4885

“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.