SCHEMBL2539770

SCHEMBL2539770

CCOC(=O)c1cc2cccnc2n1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL2537807 0.83 PDE4B (0.44) ALDH1A1TP53KDM4EMAPTUSP2
SCHEMBL2543314 0.81 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL1423321 0.81 LMNA (0.48) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL298304 0.80 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL18940560 0.80 MEN1 (0.49) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL833455 0.77 NOD2 (0.59) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL2814057 0.75 SMN1; SMN2 (0.54) ALDH1A1KDM4EMAPTTSHRSMN1; SMN2
SCHEMBL10003716 0.75 NOD2 (0.60) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL2814055 0.75 CYP1A2 (0.52) ALDH1A1NPC1RAB9AKDM4EHTT
SCHEMBL2053914 0.75 KDM4E (0.46) ALDH1A1NPC1RAB9AHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044066-B2 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2011-10-25 US 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 ALDH1A1 854/4885NPC1 2399/4885RAB9A 2865/4885

“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.