SCHEMBL4518729

SCHEMBL4518729

Cc1nc2c(-c3ccccn3)[c]ccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.39
GLA P06280 2/20 0.39
PDE10A Q9Y233 1/20 0.38
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.36
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36

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 0.79 ALOX5 (0.40) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL16720310 0.77 METAP1 (0.34) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL4527458 0.75 KDM4E (0.36) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL4527701 0.73 CYP2A6 (0.39) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5822439 0.72 NPC1 (0.32) NPC1RAB9A
SCHEMBL16720689 0.72 DYRK1A (0.45) TGFBR1
SCHEMBL2091081 0.71 NPC1 (0.42) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL7265635 0.70 KDM4E (0.59) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL21296070 0.70 MIF (0.44) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL16720191 0.69 KDM4E (0.38) KDM4EMAPTKMT2AHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1410/4885NPC1 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.