SCHEMBL286436

SCHEMBL286436

Cc1onc(-c2ccccc2)c1CN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
PTGS2 P35354 2/20 0.58
GABRA5 P31644 10/20 0.56
ALDH1A1 P00352 5/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 2/20 0.51
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.47
MT-CO2 P00403 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.47
CA3 P07451 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
Water SCHEMBL27477176 0.98 PTGS1 (0.56) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL256699 0.84 PTGS1 (0.59) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL1776269 0.83 PTGS2 (0.50) PTGS1PTGS2GABRA5ALDH1A1KMT2A
SCHEMBL195699 0.82 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL107436 0.82 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL935024 0.82 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL1777407 0.81 GABRA5 (0.51) GABRA5ALDH1A1
SCHEMBL12844155 0.81 PTGS1 (0.56) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL3828988 0.80 ALDH1A1 (0.43) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL18885135 0.79 GABRA5 (0.65) PTGS1PTGS2GABRA5ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 EP disclosed
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
EP-2229383-B1 ISOXAZOLO-PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-01-18 EP disclosed
EP-2427459-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
EP-1807405-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2007-07-18 EP disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
WO-2006046914-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2006-05-04 WO disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 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-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A PTGS1 2540/4885PTGS2 2171/4885GABRA5 854/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 PTGS1 1766/4885PTGS2 1995/4885GABRA5 135/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 PTGS1 1811/4885PTGS2 1999/4885GABRA5 122/4885

“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.