SCHEMBL3259343

SCHEMBL3259343

O=C(O)c1cc2cccnc2n1Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.48
MCL1 Q07820 1/20 0.45
CMA1 P23946 1/20 0.44
CCR2 P41597 4/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PIK3C2B O00750 1/20 0.41
POLB P06746 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL3009191 0.86 GPR35 (0.44) FDPSCCR2PTGDR2CYP2C19KDM4E
SCHEMBL3005616 0.83 CCR2 (0.62) CCR2PTGDR2TDP1CYP2C19KDM4E
SCHEMBL25016825 0.81 FDPS (0.47) FDPSMCL1CMA1CCR2TDP1
SCHEMBL21822843 0.80 FDPS (0.46) FDPSMCL1CMA1CCR2TDP1
SCHEMBL298062 0.78 CCR2 (0.52) CCR2PTGDR2TDP1CYP2C19KDM4E
SCHEMBL25016454 0.78 FDPS (0.44) FDPSMCL1CMA1CCR2TDP1
SCHEMBL3757847 0.77 GPR35 (0.48) FDPSMCL1CCR2CYP2C19KDM4E
SCHEMBL2815078 0.77 ATM (0.62) CCR2TDP1CYP2C19KDM4EMEN1
SCHEMBL3276218 0.76 FDPS (0.56) FDPSMCL1CMA1CCR2TDP1
SCHEMBL4395300 0.75 CCR2 (0.52) MCL1CCR2CYP2C19KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
CN-101351446-B Novel fused pyrrole derivatives HOFFMANN LA ROCHE 2011-10-05 CN disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
WO-2010005528-A2 PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES IRONWOOD PHARMACEUTICALS INCORPORATED (US) 2010-01-14 WO disclosed
CN-101351446-A Novel fused pyrrole derivatives HOFFMANN LA ROCHE (CH) 2009-01-21 CN disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 FDPS 1977/4885MCL1 4845/4885CMA1 1/4885
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB FDPS 570/4885MCL1 4437/4885CMA1 2021/4885

“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.