SCHEMBL4246554

SCHEMBL4246554

COc1cccc(-c2cc(N)c3ccncc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
GLA P06280 1/20 0.51
MGAT2 Q10469 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TOP1 P11387 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ACHE P22303 1/20 0.46
MAP4K4 O95819 1/20 0.45
ADORA2A P29274 1/20 0.45
CYP1A2 P05177 2/20 0.44

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
SCHEMBL4252226 0.90 TOP1 (0.51) KDM4EGLAMGAT2NPSR1RXFP1
SCHEMBL30111348 0.84 ACHE (0.67) KDM4ETOP1MEN1KMT2AMAPT
SCHEMBL4914795 0.81 KDM4E (0.59) KDM4ETOP1MEN1KMT2AMAPT
SCHEMBL4247018 0.81 MEN1 (0.62) KDM4ENPSR1MEN1KMT2AMAPT
SCHEMBL4246335 0.81 ACHE (0.70) KDM4ENPSR1MEN1KMT2AMAPT
SCHEMBL14006433 0.81 CCR1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11373416 0.81 KDM4E (0.58) KDM4EGLAMGAT2NPSR1RXFP1
SCHEMBL4255379 0.80 ACHE (0.49) GLAMAPTCSNK2A2CSNK2BLMNA
SCHEMBL4817642 0.79 KDM4E (0.65) KDM4ETOP1MEN1KMT2AMAPT
SCHEMBL11370578 0.78 KDM4E (0.58) KDM4EGLAMGAT2NPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US claimed
EP-1709045-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2006-10-11 EP claimed
US-20050171141-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2005-08-04 US claimed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 WO claimed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1709045-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2006-10-11 EP disclosed
US-20050171141-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2005-08-04 US disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 WO disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 WO 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-20050171141-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 KDM4E 4060/4885GLA 3297/4885MGAT2 737/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 KDM4E 4060/4885GLA 3297/4885MGAT2 737/4885

“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.