SCHEMBL2839401

SCHEMBL2839401

CCOC(=O)c1cnc2ccncc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 3/20 0.49
KDM5A P29375 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
NUDT1 P36639 1/20 0.46
NMT1 P30419 3/20 0.46
CSNK1D P48730 1/20 0.45
NMT2 O60551 1/20 0.44
ATM Q13315 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL11001459 0.86 KMT2A (0.55) MEN1KMT2APKMMAPK1MAPT
SCHEMBL393627 0.83 KMT2A (0.63) MEN1KMT2APKMMAPK1MAPT
SCHEMBL29366579 0.83 KMT2A (0.63) MEN1KMT2APKMMAPK1MAPT
SCHEMBL11405359 0.82 MAPK1 (0.44) MEN1KMT2APKMMAPK1KDM5A
SCHEMBL6200293 0.81 MAPK1 (0.55) MEN1KMT2APKMMAPK1MAPT
SCHEMBL1467161 0.81 MAPK1 (0.65) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL11066821 0.80 MEN1 (0.51) MEN1KMT2APKMMAPK1MAPT
SCHEMBL13544937 0.79 KDM4E (0.41) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL618410 0.78 MAPT (0.62) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1616605 0.78 MAPK1 (0.53) MEN1KMT2APKMMAPK1MAPT

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-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
EP-2201010-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2013-11-06 EP disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 US disclosed
EP-2201010-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2010-06-30 EP disclosed
WO-2009036412-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 WO disclosed
EP-1075478-B1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
US-6372757-B1 OREXIN RECEPTORS FOR SLEEP DISORDERS AND EATING DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-16 US disclosed
EP-1075478-A1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-02-14 EP disclosed
WO-1999058533-A1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-11-18 WO disclosed
US-4560689-A ANTICONVULSANTS, ANTIDEPRESSANTS, SEDATIVE ANTIDOTES, AND ANTIEPLILEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1985-12-24 US disclosed
US-4479955-A ANTICONVULSANTS, ANTIDEPRESSANTS, ANTIEPILEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US 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 (3 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-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 MEN1 4750/4885KMT2A 4440/4885PKM 2748/4885
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 MEN1 4750/4885KMT2A 4440/4885PKM 2748/4885
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, ABCB1, ABCC1 MEN1 4750/4885KMT2A 4440/4885PKM 2748/4885

“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.