SCHEMBL9520820

SCHEMBL9520820

COc1ccc(C(=O)c2cccnc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
RAB9A P51151 2/20 0.60
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.57
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP1B1 Q16678 1/20 0.57
SCD O00767 1/20 0.57
RXFP1 Q9HBX9 2/20 0.56
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HPGD P15428 1/20 0.54
TBXAS1 P24557 1/20 0.54

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
SCHEMBL29691989 1.00 KMT2A (0.69) KMT2ARAB9ACYP11B1CYP11B2GAA
SCHEMBL10839140 0.87 KMT2A (0.69) KMT2ARAB9AGAAALDH1A1POLB
SCHEMBL5749918 0.86 CYP1A2 (0.63) KMT2ARAB9ACYP11B1CYP11B2POLB
SCHEMBL15379656 0.85 TDP1 (0.66) KMT2AGAAALDH1A1POLBCYP1A1
SCHEMBL7237510 0.84 ALDH1A1 (0.64) KMT2ARAB9AALDH1A1CYP1A1CYP1A2
SCHEMBL30706507 0.84 ALDH1A1 (0.64) KMT2ARAB9AALDH1A1CYP1A1CYP1A2
SCHEMBL8055781 0.83 ALDH1A1 (0.77) KMT2ACYP11B1CYP11B2GAAALDH1A1
SCHEMBL9311015 0.83 KMT2A (0.53) KMT2ARAB9AGAAALDH1A1POLB
SCHEMBL15395616 0.83 PLOD2 (0.69) KMT2ARAB9AGAAALDH1A1POLB
SCHEMBL11606134 0.83 KMT2A (0.64) KMT2ARAB9AGAAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 EP disclosed
EP-2909193-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-04-19 EP disclosed
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
US-9309222-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-04-12 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4886822-A SIDE EFFECT REDUCTION KOWA COMPANY, LTD. (JP) 1989-12-12 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
EP-0286979-A1 Substituted anilide derivatives KOWA COMPANY, LTD. (JP) 1988-10-19 EP disclosed
US-4128651-A Bis-quaternary pyridinium-2-aldoxime salts and a process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-12-05 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 (2 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-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB KMT2A 1766/4885RAB9A 237/4885CYP11B1 252/4885
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB KMT2A 1176/4885RAB9A 352/4885CYP11B1 508/4885

“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.