SCHEMBL2201424

SCHEMBL2201424

CCN(CC)C1CCN(C(=O)c2n[nH]c(-c3cccc(C#Cc4cccc(Cl)c4)c3)c2C)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.38
KDM5A P29375 3/20 0.38
JAK1 P23458 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
POLR1A O95602 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL2202128 0.94 PIK3CA (0.38) KDM5AJAK1PIK3CAMTORPOLR1A
SCHEMBL2199731 0.93 KDM5A (0.42) KDM5AJAK1PIK3CAMTORPOLR1A
SCHEMBL2199647 0.92 PIK3CA (0.38) KDM5AJAK1PIK3CAMTORPOLR1A
SCHEMBL2199126 0.91 PIK3CA (0.41) KDM5AJAK1PIK3CAMTORPOLR1A
SCHEMBL2197825 0.89 JAK1 (0.38) KDM5AJAK1PIK3CAMTORPOLR1A
SCHEMBL2201019 0.88 JAK1 (0.43) KDM5AJAK1PIK3CAMTORPOLR1A
SCHEMBL12510461 0.86 JAK1 (0.41) KDM5AJAK1POLR1AKDM5BGFER
SCHEMBL12510317 0.84 KDM5A (0.45) KDM5AJAK1POLR1AKDM5BGFER
SCHEMBL12510542 0.84 JAK1 (0.41) KDM5AJAK1POLR1AKDM5BGFER
SCHEMBL2198072 0.84 KDM5A (0.41) KDM5AJAK1POLR1AKDM5BGFER

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 8 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
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 GRM5 214/4885KDM5A 2215/4885JAK1 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.