SCHEMBL860653

SCHEMBL860653

Nc1cccc(Cn2ccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 1.00
CYP11B2 P19099 12/20 1.00
ADRA2C P18825 1/20 0.67
CYP19A1 P11511 4/20 0.64
CYP1A2 P05177 1/20 0.64
POLB P06746 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
TBXAS1 P24557 1/20 0.64
QPCT Q16769 1/20 0.64
CYP4Z1 Q86W10 1/20 0.64
QPCTL Q9NXS2 1/20 0.64

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
SCHEMBL30448042 1.00 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL394308 0.88 CYP11B1 (0.83) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL24733003 0.83 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL28802722 0.80 CYP11B1 (0.67) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL10997898 0.80 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL9661609 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL1848631 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL12205 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL9747422 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL12299569 0.80 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
EP-3714012-B1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2023-01-11 EP disclosed
US-20210102093-A1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT COMPRISING SUBSTRATES BASF SE (DE) 2021-04-08 US disclosed
US-10899945-B2 Use of a chemical mechanical polishing (CMP) composition for polishing of cobalt comprising substrates BASF SE (DE) 2021-01-26 US disclosed
EP-3714012-A1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2020-09-30 EP disclosed
US-20200299547-A1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2020-09-24 US disclosed
EP-3334794-B1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT COMPRISING SUBSTRATES BASF SE (DE) 2020-02-19 EP disclosed
EP-1436269-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
WO-2003033482-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN disclosed
EP-0612731-B1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1997-08-20 EP disclosed
EP-0612731-A1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1994-08-31 EP disclosed
US-4873238-A ANTIULCER AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-10-10 US disclosed
US-4431815-A CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1984-02-14 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 (3 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 CYP11B1 81/4885CYP11B2 50/4885ADRA2C 40/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 CYP11B1 3376/4885CYP11B2 3746/4885ADRA2C 4264/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 CYP11B1 82/4885CYP11B2 48/4885ADRA2C 39/4885

“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.