SCHEMBL2200565

SCHEMBL2200565

COc1ccc(C(F)(F)F)cc1-n1nc(C)c(C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
NR1I2 O75469 5/20 0.47
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ERAP1 Q9NZ08 4/20 0.41
ERAP2 Q6P179 1/20 0.41
SCN9A Q15858 2/20 0.41
GPR52 Q9Y2T5 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1D Q01668 1/20 0.39
ALKBH1 Q13686 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
SCHEMBL2201064 0.86 PDE4D (0.54) LMNANR1I2SMN1; SMN2MEN1KMT2A
SCHEMBL2202595 0.81 LMNA (0.68) LMNANR1I2HPGDMEN1KMT2A
SCHEMBL2201663 0.78 TACR1 (0.42) NR1I2FFAR4ERAP1ERAP2KMT2A
SCHEMBL27993086 0.78 LMNA (0.52) LMNAHPGDMEN1KMT2AALKBH1
SCHEMBL2202206 0.77 RAB9A (0.49) LMNAKMT2AALKBH1
SCHEMBL2202029 0.75 POLB (0.59) SMN1; SMN2MEN1KMT2A
SCHEMBL3277283 0.73 MAPT (0.54) LMNAHPGDSMN1; SMN2SCN9AMEN1
SCHEMBL2201389 0.70 LMNA (0.43) LMNASCN9AMEN1KMT2AALKBH1
SCHEMBL8385492 0.69 TNKS (0.46) NR1I2FFAR4
SCHEMBL5904628 0.69 ATM (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 LMNA 4701/4885NR1I2 29/4885HPGD 1363/4885

“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.