SCHEMBL4247440

SCHEMBL4247440

Nc1cc(-c2cccc(F)c2)nc2ccncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.49
KDM4E B2RXH2 2/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
MAP4K4 O95819 2/20 0.45
ADORA2A P29274 1/20 0.45
BCHE P06276 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
KMO O15229 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
IDO1 P14902 2/20 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
SCHEMBL4250010 0.85 ACHE (0.67) ACHEKDM4EMEN1MAPTKMT2A
SCHEMBL4247635 0.84 ACHE (0.49) ACHEKDM4ECSNK2A2CSNK2BADORA2A
SCHEMBL14034221 0.83 CSNK2A2 (0.46) ACHEKDM4ECSNK2A2CSNK2BMEN1
SCHEMBL4248494 0.83 ACHE (0.49) ACHEKDM4ECSNK2A2CSNK2BMAPT
SCHEMBL4248520 0.83 ACHE (0.49) ACHEKDM4EMEN1MAPTKMT2A
SCHEMBL4251050 0.83 XDH (0.48) ACHEADORA2AABCG2KMOCCNT1
SCHEMBL4254130 0.80 ALDH1A1 (0.61) KDM4ECSNK2A2CSNK2BMEN1MAPT
SCHEMBL4252226 0.80 TOP1 (0.51) ACHEKDM4ECSNK2A2CSNK2BMEN1
SCHEMBL4823657 0.80 ACHE (0.51) ACHEKDM4EMEN1MAPTKMT2A
SCHEMBL28846348 0.77 MAP4K4 (0.49) ACHEKDM4EMEN1MAPTKMT2A

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 141/4885KDM4E 4060/4885CSNK2A2 2111/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 ACHE 141/4885KDM4E 4060/4885CSNK2A2 2111/4885

“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.