SCHEMBL3954952

SCHEMBL3954952

CCc1cc(C(=O)O)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 14/20 1.00
▸ HCAR3 P49019 3/20 0.69
▸ DAO P14920 1/20 0.62

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
SCHEMBL3999370 0.85 HCAR2 (1.00) HCAR2HCAR3DAO
SCHEMBL16979047 0.84 HCAR2 (0.72) HCAR2HCAR3DAO
SCHEMBL25678812 0.82 HCAR2 (0.70) HCAR2HCAR3DAO
SCHEMBL1877148 0.82 HCAR2 (1.00) HCAR2HCAR3DAO
SCHEMBL5599447 0.82 HCAR2 (0.75) HCAR2HCAR3DAO
SCHEMBL5599320 0.82 HCAR2 (1.00) HCAR2HCAR3DAO
SCHEMBL5599538 0.81 HCAR2 (0.68) HCAR2HCAR3DAO
SCHEMBL5599509 0.81 HCAR2 (1.00) HCAR2HCAR3DAO
SCHEMBL5599633 0.80 HCAR2 (0.67) HCAR2HCAR3DAO
SCHEMBL7172516 0.80 HCAR2 (1.00) HCAR2HCAR3DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023099648-A1 PYRAOLO- AND TRIAZOLO-AZINONE COMPOUNDS AND THEIR USES ASTRAZENECA AB (SE) 2023-06-08 — — WO disclosed
US-20230167094-A1 H4 ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-01 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-15 — — US disclosed
EP-3999183-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF Ono Pharmaceutical Co., Ltd. (JP) 2022-05-25 — — EP disclosed
US-10906896-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2021-02-02 — — US disclosed
WO-2021010492-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2021-01-21 — — WO disclosed
US-10835515-B2 Carboxamide derivative and its diastereomers in stable crystalline form ORION CORPORATION (FI) 2020-11-17 — — US disclosed
US-20200031819-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2020-01-30 — — US disclosed
US-20190321333-A1 CARBOXAMIDE DERIVATIVE AND ITS DIASTEREOMERS IN STABLE CRYSTALLINE FORM ORION CORP (FI) 2019-10-24 — — US disclosed
WO-2008140781-A1 SPIRO COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS ATHEROGENICS, INC. (US) 2008-11-20 — — WO disclosed
US-20080280974-A1 Spiro compounds for treatment of inflammatory disorders CRABTREE ACQUISITION CO, LLC 2008-11-13 — — US disclosed
CN-1893943-A Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES CO (US) 2007-01-10 — — CN disclosed
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 — — EP disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 — — US disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 — — WO disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 — — EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 — — US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 — — WO 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 (9 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 HCAR2 3535/4885HCAR3 3093/4885DAO 1114/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HCAR2 3979/4885HCAR3 3436/4885DAO 1381/4885
US-20190321333-A1 CARBOXAMIDE DERIVATIVE AND ITS DIASTEREOMERS IN STABLE CRYSTALLINE FORM AR, NR5A1, SHBG HCAR2 92/4885HCAR3 101/4885DAO 3950/4885
US-20200031819-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 HCAR2 4221/4885HCAR3 3241/4885DAO 3336/4885
US-10835515-B2 Carboxamide derivative and its diastereomers in stable crystalline form AR, NR5A1, SHBG HCAR2 92/4885HCAR3 101/4885DAO 3950/4885
US-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF KDM5A, KDM1B, KDM5D HCAR2 2298/4885HCAR3 2618/4885DAO 3475/4885
US-10906896-B2 Compositions and methods for inhibiting kinases MAP3K1, PACSIN2, MAP3K3 HCAR2 4221/4885HCAR3 3241/4885DAO 3336/4885
US-20080280974-A1 Spiro compounds for treatment of inflammatory disorders NR3C2, PTGER2, PTGER1 HCAR2 136/4885HCAR3 632/4885DAO 3501/4885
US-20230167094-A1 H4 ANTAGONIST COMPOUNDS HRH4, HRH3, HRH2 HCAR2 14/4885HCAR3 44/4885DAO 2955/4885

“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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