SCHEMBL3277663

SCHEMBL3277663

Cc1c(C(=O)O)n(Cc2cccc3ccccc23)c2ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PTGDR2 Q9Y5Y4 5/20 0.46
CYP2C9 P11712 2/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
PTGER2 P43116 1/20 0.44
CMA1 P23946 1/20 0.44
PPARG P37231 1/20 0.44
POLB P06746 1/20 0.43
MCL1 Q07820 2/20 0.43
PIK3C2B O00750 1/20 0.43
USP2 O75604 1/20 0.43
HK1 P19367 1/20 0.42
HTT P42858 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
BAD Q92934 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3277757 0.87 CMA1 (0.53) KMT2AMEN1ALDH1A1CMA1MCL1
SCHEMBL3276244 0.85 KMT2A (0.47) KMT2AMEN1PTGDR2CYP2C9ALDH1A1
SCHEMBL3275766 0.84 PTGDR2 (0.53) KMT2AMEN1PTGDR2CYP2C9PTGER2
SCHEMBL3280953 0.84 KMT2A (0.47) KMT2AMEN1PTGDR2CYP2C9ALDH1A1
SCHEMBL3276275 0.84 KMT2A (0.45) KMT2AMEN1PTGDR2CYP2C9MAPT
SCHEMBL3274967 0.84 POLB (0.52) KMT2AMEN1PTGDR2CYP2C9MAPT
Hydrochloric Acid SCHEMBL3281324 0.84 KMT2A (0.46) KMT2AMEN1PTGDR2CYP2C9ALDH1A1
SCHEMBL3277290 0.83 KMT2A (0.45) KMT2AMEN1PTGDR2CYP2C9PTGER2
SCHEMBL3283458 0.82 KMT2A (0.43) KMT2AMEN1PTGDR2CYP2C9MAPT
SCHEMBL3276720 0.82 POLB (0.46) KMT2AMEN1PTGDR2CYP2C9PTGER2

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
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US claimed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
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
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

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 KMT2A 3786/4885MEN1 2461/4885PTGDR2 414/4885

“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.