SCHEMBL4247018

SCHEMBL4247018

COc1cccc(-c2cc(C(=O)O)c3ccncc3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
KDM4E B2RXH2 8/20 0.61
LMNA P02545 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
HPGD P15428 2/20 0.61
NPC1 O15118 1/20 0.61
NFKB1 P19838 1/20 0.61
RAB9A P51151 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
DHODH Q02127 4/20 0.55
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
TP53 P04637 2/20 0.54
ALOX12 P18054 1/20 0.53

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
SCHEMBL4248564 0.92 MEN1 (0.61) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL1897330 0.87 KDM4E (0.79) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL4600353 0.84 KDM4E (0.71) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL4248547 0.84 KDM4E (0.72) KDM4ELMNASMN1; SMN2ALDH1A1DHODH
SCHEMBL14006434 0.82 CYP3A4 (0.52) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL4248490 0.82 DHODH (0.56) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL4246554 0.81 KDM4E (0.51) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL4245149 0.79 KDM4E (0.64) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL4189945 0.78 TACR3 (0.74) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL13460440 0.78 DHODH (0.65) KDM4ELMNASMN1; SMN2ALDH1A1MAPT

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 10 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 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 MEN1 2604/4885KMT2A 2801/4885KDM4E 4060/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 MEN1 2604/4885KMT2A 2801/4885KDM4E 4060/4885

“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.