SCHEMBL257969

SCHEMBL257969

Nc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.57
CYP3A4 P08684 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TBXAS1 P24557 10/20 0.56
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
CYP17A1 P05093 1/20 0.55
CYP19A1 P11511 1/20 0.55
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CYP2A6 P11509 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL727185 0.85 CYP1A2 (0.62) CHRNA7TDP1TBXAS1CYP11B1CYP11B2
SCHEMBL78082 0.84 CHRNA7 (0.68) CHRNA7TDP1CYP19A1HRH4HRH3
SCHEMBL29995759 0.83 CYP11B1 (0.65) CHRNA7CYP3A4TBXAS1CYP11B1CYP11B2
SCHEMBL177863 0.83 CYP11B1 (0.65) CHRNA7CYP3A4TBXAS1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL10665044 0.81 TBXAS1 (0.64) TBXAS1CYP11B1CYP11B2HRH4HRH3
Ammonia Solution, Strong SCHEMBL5999508 0.81 CYP11B1 (0.62) CHRNA7TBXAS1CYP11B1CYP11B2HRH4
SCHEMBL9593116 0.81 MEN1 (0.55) CHRNA7CYP3A4TBXAS1CYP11B1CYP11B2
SCHEMBL6649631 0.80 TBXAS1 (0.56) CYP3A4TBXAS1CYP11B1CYP11B2HRH4
SCHEMBL8081819 0.80 ALDH1A1 (0.66) ALDH1A1TDP1TBXAS1CYP11B1CYP11B2
SCHEMBL3758352 0.80 TBXAS1 (0.56) TBXAS1CYP11B1CYP11B2HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279215-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED 2024-08-22 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4917826-A TREATING DIABETES AND OBESITY THE UPJOHN COMPANY (US) 1990-04-17 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-0104727-B1 PYRIDINYL-SUBSTITUTED BENZIMIDAZOLES AND QUINOXALINES THE UPJOHN COMPANY (US) 1986-12-03 EP disclosed
US-4495357-A THROMBOXANE A2 SYNTHETASE INHIBITORS THE UPJOHN COMPANY (US) 1985-01-22 US disclosed
US-4490531-A THROMBOXAN INHIBITOR, ANTITUMOR AGENT, HYPOTENSIVE AGENT THE UPJOHN COMPANY (US) 1984-12-25 US disclosed
EP-0104727-A1 Pyridinyl-substituted benzimidazoles and quinoxalines THE UPJOHN COMPANY (US) 1984-04-04 EP disclosed
US-4430502-A Pyridinyl substituted benzimidazoles and quinoxalines THE UPJOHN COMPANY (US) 1984-02-07 US disclosed
EP-0069521-A2 Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes THE UPJOHN COMPANY (US) 1983-01-12 EP 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 (5 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 CHRNA7 4727/4885CYP3A4 1809/4885ALDH1A1 1451/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 CHRNA7 2536/4885CYP3A4 2794/4885ALDH1A1 2019/4885
US-20240279215-A1 NAMPT MODULATORS NAMPT, SIRT1, NNT CHRNA7 2605/4885CYP3A4 2932/4885ALDH1A1 758/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 CHRNA7 4701/4885CYP3A4 2132/4885ALDH1A1 1875/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF CHRNA7 4848/4885CYP3A4 4030/4885ALDH1A1 2759/4885

“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.