SCHEMBL5541647

SCHEMBL5541647

N#Cc1ccc(Cn2cnnn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.61
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2A6 P11509 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL27629323 0.78 MEN1 (0.58) CYP19A1KDM4EMAPK1L3MBTL1MEN1
SCHEMBL23913862 0.78 MAPK1 (0.53) CYP19A1CYP11B1CYP11B2KDM4EMAPK1
SCHEMBL4833617 0.77 MEN1 (0.53) CYP19A1CYP11B1CYP11B2KDM4EMAPK1
SCHEMBL29788840 0.77 ALDH1A1 (0.65) CYP19A1CYP11B1CYP11B2KDM4EMAPK1
SCHEMBL10053477 0.77 MEN1 (0.53) CYP19A1CYP11B1CYP11B2KDM4EMAPK1
SCHEMBL708243 0.77 KDM4E (0.51) CYP19A1CYP11B1CYP11B2KDM4EMAPK1
SCHEMBL9156641 0.76 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2
SCHEMBL2532477 0.76 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2KDM4EMAPK1
SCHEMBL2286797 0.74 CYP11B1 (0.64) CYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL9978689 0.74 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2KDM4EMAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP claimed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US claimed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 EP claimed
US-11845767-B2 Arginase inhibitors RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-12-19 US disclosed
US-20220227791-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2022-07-21 US disclosed
CN-100384418-C Isoxazolopyridinones and use thereof in the treatment of parkinson's disease NOVARTIS AG (CH) 2008-04-30 CN disclosed
EP-1418912-B1 ISOXAZOLOPYRIDINONES NOVARTIS AG (CH) 2007-02-28 EP disclosed
US-7087756-B2 Isoxazolopyridinones NOVARTIS AG (CH) 2006-08-08 US disclosed
CN-1635889-A Isoxazolopyridinones and their use in the treatment of parkinson's disease NOVARTIS AG (CH) 2005-07-06 CN disclosed
US-20040248893-A1 Isoxazolopyridinones NOVARTIS AG (CH) 2004-12-09 US disclosed
EP-1418912-A2 ISOXAZOLOPYRIDINONES Novartis AG (CH) 2004-05-19 EP disclosed
WO-2003015780-A2 ISOXAZOLOPYRIDINONES AND USE THEREOF IN THE TREATMENT OF PARKINSON'S DISEASE NOVARTIS AG (CH) 2003-02-27 WO disclosed
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US disclosed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 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 (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-20040248893-A1 Isoxazolopyridinones XDH, NPY1R, TBXA2R CYP19A1 168/4885CYP11B1 41/4885CYP11B2 40/4885
US-20220227791-A1 NOVEL ARGINASE INHIBITORS ARG1, ARG2, ARGLU1 CYP19A1 464/4885CYP11B1 157/4885CYP11B2 232/4885
US-11845767-B2 Arginase inhibitors ARG1, ARG2, ARGLU1 CYP19A1 425/4885CYP11B1 117/4885CYP11B2 177/4885

“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.