SCHEMBL2811033

SCHEMBL2811033

CCOC(=O)c1cc2ccncc2n1Cc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.56
NOD2 Q9HC29 2/20 0.53
NOD1 Q9Y239 2/20 0.53
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
F2 P00734 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2816895 0.85 F10 (0.51) F10NOD2NOD1LMNAGLA
SCHEMBL4392976 0.85 CCR2 (0.53) F10MAPTALDH1A1TP53KDM4E
SCHEMBL2815834 0.84 NOD2 (0.51) F10NOD2NOD1LMNAGLA
SCHEMBL832448 0.84 F10 (0.61) F10NOD2NOD1LMNAGLA
SCHEMBL939581 0.82 F10 (0.52) F10NOD2NOD1LMNAGLA
SCHEMBL2813460 0.81 F10 (0.49) F10NOD2NOD1LMNAGLA
SCHEMBL3564999 0.81 IDO1 (0.57) F10NOD2NOD1MAPTALDH1A1
SCHEMBL4907168 0.81 MAPT (0.51) F10NOD2NOD1LMNAMAPT
SCHEMBL939884 0.80 F10 (0.52) F10NOD2NOD1LMNAGLA
SCHEMBL941399 0.80 F10 (0.54) F10NOD2NOD1LMNAGLA

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
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-7763636-B2 N-(arylalkyl)-1H-pyrrolopyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-27 US disclosed
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-05-29 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 (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-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP3A5, ZYX, ZDHHC2 F10 4126/4885NOD2 1868/4885NOD1 1730/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 F10 4467/4885NOD2 3647/4885NOD1 3349/4885

“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.