SCHEMBL2201512

SCHEMBL2201512

CCN(CC)C1CCN(C(=O)c2nn(C)c(-c3cccc(-c4ccc(Cl)cc4)c3)c2C)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
CNR1 P21554 5/20 0.41
GRM5 P41594 3/20 0.41
HRH3 Q9Y5N1 4/20 0.39
MCHR1 Q99705 2/20 0.39
POLR1A O95602 1/20 0.38
CNR2 P34972 4/20 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
SCHEMBL2202405 0.94 GRM5 (0.46) JAK1MALT1GRM5HRH3MCHR1
SCHEMBL2202536 0.93 GRM5 (0.47) JAK1MALT1CNR1GRM5HRH3
SCHEMBL2201649 0.93 JAK1 (0.44) JAK1GRM5HRH3POLR1A
SCHEMBL2197187 0.89 GRM5 (0.39) JAK1MALT1CNR1GRM5HRH3
SCHEMBL2197192 0.89 GRM5 (0.39) JAK1MALT1CNR1GRM5HRH3
SCHEMBL2201518 0.86 JAK1 (0.41) JAK1GRM5HRH3POLR1A
SCHEMBL12510461 0.82 JAK1 (0.41) JAK1MALT1HRH3MCHR1POLR1A
SCHEMBL2230472 0.82 POLR1A (0.41) JAK1HRH3POLR1A
SCHEMBL13973495 0.78 GRM5 (0.48) CNR1GRM5CNR2
SCHEMBL12510542 0.77 JAK1 (0.41) JAK1HRH3POLR1A

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 553/4885MALT1 3122/4885CNR1 37/4885

“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.