SCHEMBL3140771

SCHEMBL3140771

NC(=O)c1cc(F)ccc1C[CH]C(=O)N1CCCC2(C1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 3/20 0.34
ALDH1A1 P00352 6/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.32
PARP1 P09874 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4086572 0.88 NPC1 (0.50) NPC1KMT2AALDH1A1GAALMNA
SCHEMBL3140703 0.74 PARP1 (0.43) ALDH1A1PARP1
SCHEMBL3140842 0.74 ALDH1A1 (0.35) ALDH1A1PARP1
SCHEMBL4096182 0.72 HTR2A (0.40) ALDH1A1PARP1
SCHEMBL4080928 0.69 P2RX7 (0.40) KMT2AALDH1A1PARP1
SCHEMBL3127933 0.67 BCHE (0.44) KMT2AMEN1PARP1CYP2C19
SCHEMBL3140776 0.67 DPP4 (0.51)
SCHEMBL6990428 0.64 P2RX7 (0.31) LMNA
SCHEMBL3140453 0.63 HPGD (0.43) ALDH1A1JAK2JAK1LMNAPARP1
SCHEMBL12023001 0.62 MAPK8 (0.46) KMT2AMEN1JAK2LMNAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 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 (3 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB NPC1 1659/4885KMT2A 2476/4885MEN1 4163/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NPC1 1659/4885KMT2A 2476/4885MEN1 4163/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NPC1 1659/4885KMT2A 2476/4885MEN1 4163/4885

“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.