SCHEMBL3275889

SCHEMBL3275889

O=C(O)c1cc2ccccc2n1Cc1csc2ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.53
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MCL1 Q07820 2/20 0.43
CMA1 P23946 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CA2 P00918 1/20 0.40
PLA2G10 O15496 1/20 0.40
DAO P14920 1/20 0.40
GPR35 Q9HC97 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL3276954 0.87 CCR2 (0.59) CCR2MCL1CMA1ALDH1A1CYP1A2
SCHEMBL3283522 0.87 CCR2 (0.61) CCR2
SCHEMBL3277685 0.87 CCR2 (0.53) CCR2MCL1CMA1ALDH1A1CYP1A2
SCHEMBL3283537 0.86 CCR2 (0.47) CCR2MTNR1AMTNR1BALDH1A1POLB
SCHEMBL3275538 0.86 CCR2 (0.56) CCR2PTGS1PTGS2
SCHEMBL3280334 0.82 CCR2 (0.54) CCR2MTNR1AMTNR1BCMA1CA2
SCHEMBL3276117 0.81 CCR2 (0.58) CCR2MCL1CMA1ALDH1A1CYP1A2
SCHEMBL15512655 0.77 KMT2A (0.68) MTNR1AMTNR1BCMA1ALDH1A1POLB
SCHEMBL3275484 0.77 FOLH1 (0.53) MTNR1AMTNR1BCMA1POLBMEN1
SCHEMBL7008246 0.76 CCR2 (0.81) CCR2ALDH1A1CYP1A2POLBPLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP claimed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO claimed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US claimed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP 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
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 (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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 CCR2 2308/4885MTNR1A 147/4885MTNR1B 259/4885

“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.