SCHEMBL4250010

SCHEMBL4250010

Nc1cc(-c2ccccc2)nc2ccncc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.67
KDM4E B2RXH2 5/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
RAD52 P43351 1/20 0.51
ADORA2A P29274 3/20 0.49
ADORA1 P30542 3/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DHODH Q02127 2/20 0.45
CYP19A1 P11511 1/20 0.45
HPGD P15428 3/20 0.44
MAPK10 P53779 1/20 0.44
TLR9 Q9NR96 1/20 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
SCHEMBL4246335 0.89 ACHE (0.70) ACHEKDM4EPOLBHTTRAD52
SCHEMBL4249591 0.86 ACHE (0.49) ACHEKDM4EPOLBHTTRAD52
SCHEMBL15905152 0.86 SLC2A1 (0.55) ACHEKDM4EPOLBHTTRAD52
SCHEMBL4247635 0.86 ACHE (0.49) ACHEKDM4EPOLBHTTRAD52
SCHEMBL4243803 0.86 ACHE (0.49) ACHEKDM4EPOLBHTTRAD52
SCHEMBL4247440 0.85 ACHE (0.49) ACHEKDM4EPOLBHTTRAD52
SCHEMBL4248520 0.85 ACHE (0.49) ACHEKDM4EPOLBHTTRAD52
SCHEMBL4248494 0.85 ACHE (0.49) ACHEKDM4EPOLBHTTRAD52
SCHEMBL4244311 0.83 KDM4E (0.47) ACHEKDM4EPOLBHTTRAD52
SCHEMBL15919728 0.82 ACHE (0.45) ACHEKDM4EPOLBHTTRAD52

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 4060/4885POLB 4401/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 ACHE 141/4885KDM4E 4060/4885POLB 4401/4885

“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.