SCHEMBL2840592

SCHEMBL2840592

CCOC(=O)c1cc2nc(C(F)(F)F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
F10 P00742 4/20 0.46
NOD2 Q9HC29 2/20 0.45
NOD1 Q9Y239 2/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
GNRHR P30968 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL830058 0.90 MAPT (0.54) LMNAF10NOD2NOD1MAPT
SCHEMBL1101087 0.86 CCR2 (0.47) HTTTSHR
SCHEMBL832710 0.85 NOD2 (0.47) LMNAF10NOD2NOD1MAPT
SCHEMBL3979074 0.82 F10 (0.52) LMNAGLAF10NOD2NOD1
SCHEMBL832448 0.81 F10 (0.61) LMNAGLAF10NOD2NOD1
SCHEMBL939884 0.80 F10 (0.52) LMNAGLAF10NOD2NOD1
Hydrochloric Acid SCHEMBL30104853 0.79 JAK2 (0.44) LMNANOD2NOD1MAPTALDH1A1
SCHEMBL939581 0.78 F10 (0.52) LMNAGLAF10NOD2NOD1
SCHEMBL2810017 0.78 RAB9A (0.55) LMNAGLAMAPTALDH1A1POLB
SCHEMBL941399 0.78 F10 (0.54) LMNAGLAF10NOD2NOD1

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 LMNA 2401/4885GLA 1967/4885F10 4126/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 LMNA 3096/4885GLA 2134/4885F10 4467/4885

“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.