SCHEMBL2198543

SCHEMBL2198543

Cc1nn(-c2cccc(C(F)(F)F)c2)c(C2CC2)c1C(=O)N1CC[C@@H](N2CCCC2)C[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
TRPV1 Q8NER1 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MGLL Q99685 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL2198537 1.00 KMT2A (0.39) KMT2ATRPV1POLBMEN1TACR1
SCHEMBL2198541 1.00 KMT2A (0.39) KMT2ATRPV1POLBMEN1TACR1
SCHEMBL2199430 0.90 MCHR1 (0.37) POLB
SCHEMBL2199425 0.90 MCHR1 (0.37) POLB
SCHEMBL2199431 0.90 MCHR1 (0.37) POLB
SCHEMBL2202102 0.90 KMT2A (0.41) KMT2APOLBMEN1TACR1ALDH1A1
SCHEMBL2203660 0.90 KMT2A (0.41) KMT2APOLBMEN1TACR1ALDH1A1
SCHEMBL2202105 0.90 KMT2A (0.41) KMT2APOLBMEN1TACR1ALDH1A1
SCHEMBL2203666 0.90 KMT2A (0.41) KMT2APOLBMEN1TACR1ALDH1A1
SCHEMBL2202095 0.90 KMT2A (0.41) KMT2APOLBMEN1TACR1ALDH1A1

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 KMT2A 4057/4885TRPV1 148/4885POLB 4350/4885

“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.