SCHEMBL2201719

SCHEMBL2201719

CCCCCCc1cccc(-n2nc(CC)c(C(=O)N3CCC(N(CC)CC)C3)c2CC)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.38
POLR1A O95602 1/20 0.36
KDM1A O60341 1/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
SLC5A1 P13866 4/20 0.33
CCR3 P51677 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33

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
SCHEMBL2199848 0.83 L3MBTL3 (0.41)
SCHEMBL2200295 0.77 PARP1 (0.40)
SCHEMBL2201158 0.74 KMT2A (0.41) JAK1POLR1AKDM1A
SCHEMBL1719987 0.72 POLR1A (0.37) JAK1POLR1APIK3CAMTORCNR1
SCHEMBL1719022 0.70 POLR1A (0.38) JAK1POLR1AKDM1ACNR1CNR2
SCHEMBL2197614 0.69 KMT2A (0.44) JAK1POLR1AKDM1A
SCHEMBL12510462 0.67 KMT2A (0.43) JAK1POLR1AKDM1A
SCHEMBL2201573 0.67 KMT2A (0.43) JAK1POLR1A
SCHEMBL2202093 0.64 MALT1 (0.40) JAK1POLR1AKDM1ACCR3
SCHEMBL2198795 0.63 KMT2A (0.39) JAK1POLR1AKDM1A

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 6 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
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 553/4885POLR1A 1494/4885KDM1A 3425/4885

“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.