SCHEMBL4248494

SCHEMBL4248494

Nc1cc(-c2cccc(Cl)c2)nc2ccncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
MAPK1 P28482 1/20 0.47
ACP1 P24666 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CDC7 O00311 1/20 0.44
MAP4K4 O95819 4/20 0.43
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KMO O15229 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
TGFBR1 P36897 1/20 0.41
BACE1 P56817 1/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL4255379 0.89 ACHE (0.49) ACHEMAPK1ACP1CSNK2A2CSNK2B
SCHEMBL4250010 0.85 ACHE (0.67) ACHEMAPK1ALDH1A1KDM4EPOLB
SCHEMBL4249591 0.84 ACHE (0.49) ACHEMAPK1CSNK2A2CSNK2BCDC7
SCHEMBL4247440 0.83 ACHE (0.49) ACHECSNK2A2CSNK2BMAP4K4ALDH1A1
SCHEMBL4248520 0.83 ACHE (0.49) ACHEALDH1A1KDM4EPOLBHTT
SCHEMBL4251050 0.80 XDH (0.48) ACHEADORA2AADORA1KMO
SCHEMBL4248498 0.80 ALDH1A1 (0.54) CSNK2A2CSNK2BALDH1A1KDM4EHTT
SCHEMBL4252226 0.80 TOP1 (0.51) ACHECSNK2A2CSNK2BMAP4K4ALDH1A1
SCHEMBL4816251 0.80 ACHE (0.51) ACHEMAPK1MAP4K4ALDH1A1KDM4E
SCHEMBL11363608 0.79 MAP4K4 (0.52) CSNK2A2CSNK2BCDC7MAP4K4KDM4E

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
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US claimed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 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
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 ACHE 141/4885MAPK1 2788/4885ACP1 3017/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 ACHE 141/4885MAPK1 2788/4885ACP1 3017/4885

“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.