SCHEMBL3276954

SCHEMBL3276954

O=C(O)c1cc2ccccc2n1Cc1csc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.59
CMA1 P23946 1/20 0.56
MCL1 Q07820 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
FDPS P14324 1/20 0.45
DAO P14920 1/20 0.44
CYP2A6 P11509 1/20 0.44
FAAH O00519 1/20 0.44
PLA2G10 O15496 1/20 0.44
GPR35 Q9HC97 1/20 0.43
CHRNA7 P36544 1/20 0.43
KIF11 P52732 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3275889 0.87 CCR2 (0.53) CCR2CMA1MCL1ALDH1A1CYP1A2
SCHEMBL3277685 0.87 CCR2 (0.53) CCR2CMA1MCL1ALDH1A1CYP1A2
SCHEMBL3283522 0.87 CCR2 (0.61) CCR2SMN1; SMN2
SCHEMBL25016564 0.84 F10 (0.45) CCR2CMA1FDPSGPR35KIF11
SCHEMBL3283010 0.82 CCR2 (0.56) CCR2CMA1MCL1ALDH1A1CYP1A2
SCHEMBL3275972 0.78 CCR2 (0.60) CCR2ALDH1A1CYP1A2POLBPLA2G10
SCHEMBL25016817 0.76 CMA1 (0.42) CCR2CMA1ALDH1A1POLBFDPS
SCHEMBL28812363 0.76 CCR2 (0.60) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL5378162 0.75 CCR2 (1.00) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL3276781 0.75 CCR2 (0.59) CCR2MCL1ALDH1A1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2308/4885CMA1 1/4885MCL1 4845/4885

“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.