SCHEMBL4527458

SCHEMBL4527458

Cc1nc2c(-c3ccncc3)[c]ccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HSD17B10 Q99714 2/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL16720507 0.86 ALOX5 (0.40) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4527701 0.82 CYP2A6 (0.39) KDM4ENPC1RAB9AALDH1A1CYP1A2
SCHEMBL16720191 0.76 KDM4E (0.38) KDM4EKMT2AMEN1MAPT
SCHEMBL16720555 0.76 LMNA (0.40) RAB9AHSD17B10SMN1; SMN2CYP3A4CYP2D6
SCHEMBL16720310 0.75 METAP1 (0.34) KDM4ENPC1RAB9AALDH1A1CYP1A2
SCHEMBL2091081 0.74 NPC1 (0.42) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL16720456 0.73 BRD4 (0.40) KMT2AMEN1
SCHEMBL5822439 0.70 NPC1 (0.32) NPC1RAB9A
SCHEMBL16720689 0.67 DYRK1A (0.45) ROCK1
SCHEMBL12930243 0.67 NPC1 (0.57) KDM4EKMT2AMEN1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed
US-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-12-03 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 (1 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-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof PYCR1, ATP5PD, NQO2 KDM4E 1410/4885KMT2A 2114/4885MEN1 3682/4885

“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.