SCHEMBL583534

SCHEMBL583534

Nc1cccc(-c2ccncc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.70
CYP17A1 P05093 2/20 0.70
CYP19A1 P11511 2/20 0.70
CYP11B1 P15538 2/20 0.70
CYP11B2 P19099 2/20 0.70
MAOA P21397 1/20 0.67
MEN1 O00255 1/20 0.64
PSIP1 O75475 1/20 0.64
AXL P30530 1/20 0.64
MKNK1 Q9BUB5 1/20 0.64
MKNK2 Q9HBH9 1/20 0.64
MAP4K4 O95819 4/20 0.55
NOTUM Q6P988 1/20 0.54
NTRK1 P04629 1/20 0.53
PIK3CA P42336 1/20 0.53
MAPT P10636 2/20 0.52
PRKCI P41743 1/20 0.52
NPC1 O15118 1/20 0.52
GFER P55789 1/20 0.52
KIF11 P52732 1/20 0.52

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
SCHEMBL28010939 0.98 CYP17A1 (0.73) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL28833100 0.98 CYP3A4 (0.68) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL18745703 0.84 CYP3A4 (0.58) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL18770411 0.83 CYP17A1 (1.00) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL15411832 0.83 NOTUM (0.68) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL29394565 0.83 MAOA (0.84) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL311194 0.83 MAOA (0.84) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL29561461 0.83 MAOA (0.84) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL31131353 0.83 MAOA (0.84) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL19446666 0.83 MAOA (0.84) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-4727148-A Certain aromatization process for preparing 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid ETHYL CORPORATION (US) 1988-02-23 US claimed
US-4554352-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid ETHYL CORPORATION (US) 1985-11-19 US claimed
US-4552963-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid ETHYL CORPORATION (US) 1985-11-12 US claimed
US-4550167-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid ETHYL CORPORATION (US) 1985-10-29 US claimed
US-4533735-A Process for preparing antibacterial compounds ETHYL CORPORATION (US) 1985-08-06 US claimed
US-4532326-A Decarboxylation process for preparing 4-(3-aminophenyl)pyridines ETHYL CORPORATION (US) 1985-07-30 US claimed
US-4351944-A Improved process for preparing 3-(4-pyridinyl)aniline STERLING DRUG INC. (US) 1982-09-28 US claimed
US-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 US disclosed
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 EP disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 US disclosed
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN disclosed
US-4118557-A Cyclic alkylidenyl N-(lower-alkyl)-3-(pyridinyl)anilinomethylenemalonates STERLING DRUG INC. (US) 1978-10-03 US disclosed
US-4111946-A Preparation of 3-(pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4107167-A Alkyl α-[3-(pyridyl)-anilinomethylene]acetoacetates STERLING DRUG INC. (US) 1978-08-15 US disclosed
US-4075217-A Conversion of 3-(pyridinyl)-2-cyclohexen-1-one to 3-(pyridinyl)anilines STERLING DRUG INC. (US) 1978-02-21 US disclosed
US-4026900-A 3-(Pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1977-05-31 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-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 CYP3A4 2330/4885CYP17A1 1228/4885CYP19A1 454/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS CYP3A4 2577/4885CYP17A1 2220/4885CYP19A1 522/4885
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER LIMK1, LIMK2, ROCK1 CYP3A4 3022/4885CYP17A1 412/4885CYP19A1 438/4885

“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.