SCHEMBL2201649

SCHEMBL2201649

CCN(CC)C1CCN(C(=O)c2nn(C)c(-c3cccc(-c4ccccc4)c3)c2C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.44
HRH3 Q9Y5N1 5/20 0.43
POLR1A O95602 1/20 0.42
KDM5A P29375 1/20 0.40
GRM5 P41594 2/20 0.38
KDM5B Q9UGL1 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KDM1A O60341 1/20 0.36
ATR Q13535 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 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
SCHEMBL2201512 0.93 JAK1 (0.43) JAK1HRH3POLR1AGRM5
SCHEMBL2202405 0.92 GRM5 (0.46) JAK1HRH3POLR1AKDM5AGRM5
SCHEMBL2202536 0.91 GRM5 (0.47) JAK1HRH3POLR1AGRM5HCRTR1
SCHEMBL2201518 0.90 JAK1 (0.41) JAK1HRH3POLR1AKDM5AGRM5
SCHEMBL2230472 0.86 POLR1A (0.41) JAK1HRH3POLR1AKDM1A
SCHEMBL2197187 0.84 GRM5 (0.39) JAK1HRH3POLR1AGRM5
SCHEMBL2197192 0.84 GRM5 (0.39) JAK1HRH3POLR1AGRM5
SCHEMBL13973492 0.83 KDM5B (0.42) GRM5KDM5BHCRTR1HCRTR2KDM1A
SCHEMBL12510317 0.81 KDM5A (0.45) JAK1HRH3POLR1AKDM5AKDM5B
SCHEMBL3689666 0.77 POLR1A (0.41) JAK1HRH3POLR1AKDM1A

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
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 JAK1 553/4885HRH3 108/4885POLR1A 1494/4885

“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.