SCHEMBL2202128

SCHEMBL2202128

CCN(CC)C1CCN(C(=O)c2n[nH]c(-c3cccc(C#Cc4ccc(Cl)cc4)c3)c2C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
JAK1 P23458 1/20 0.38
KDM5A P29375 3/20 0.37
POLR1A O95602 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
KDM1A O60341 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MCHR1 Q99705 1/20 0.35
HSD11B1 P28845 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL2201424 0.94 GRM5 (0.38) PIK3CAMTORJAK1KDM5APOLR1A
SCHEMBL2199731 0.93 KDM5A (0.42) PIK3CAMTORJAK1KDM5APOLR1A
SCHEMBL2199647 0.93 PIK3CA (0.38) PIK3CAMTORJAK1KDM5APOLR1A
SCHEMBL2199126 0.92 PIK3CA (0.41) PIK3CAMTORJAK1KDM5APOLR1A
SCHEMBL12510461 0.89 JAK1 (0.41) JAK1KDM5APOLR1AMALT1GFER
SCHEMBL2197825 0.89 JAK1 (0.38) PIK3CAMTORJAK1KDM5APOLR1A
SCHEMBL2201019 0.88 JAK1 (0.43) PIK3CAMTORJAK1KDM5APOLR1A
SCHEMBL12510317 0.84 KDM5A (0.45) JAK1KDM5APOLR1AGFERKMT2A
SCHEMBL12510542 0.83 JAK1 (0.41) JAK1KDM5APOLR1AGFERKMT2A
SCHEMBL2198072 0.83 KDM5A (0.41) JAK1KDM5APOLR1AGFERKMT2A

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 7 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
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
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
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 PIK3CA 3765/4885MTOR 4347/4885JAK1 553/4885

“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.