SCHEMBL2198953

SCHEMBL2198953

CCCCC#Cc1cccc(-n2nc(CC)c(C(=O)N3CCC(N(CC)CC)C3)c2CC)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.38
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
KDM1A O60341 1/20 0.36
POLR1A O95602 1/20 0.35
CHRNA4 P43681 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
SCHEMBL2202108 0.84 L3MBTL3 (0.39) PIK3CAMTOR
SCHEMBL2199894 0.79 HAO1 (0.36)
SCHEMBL2203835 0.78 PARP1 (0.36) PIK3CAMTOR
SCHEMBL2198709 0.77 MAPT (0.36)
SCHEMBL2198108 0.73 KMT2A (0.41) JAK1PIK3CAMTORKDM1APOLR1A
SCHEMBL2199721 0.67 MALT1 (0.37) JAK1KDM1APOLR1A
SCHEMBL2197614 0.67 KMT2A (0.44) JAK1KDM1APOLR1A
SCHEMBL12510462 0.66 KMT2A (0.43) JAK1KDM1APOLR1A
SCHEMBL2200002 0.64 KMT2A (0.47) JAK1KDM1APOLR1A
SCHEMBL2202091 0.62 MALT1 (0.40) JAK1KDM1APOLR1A

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 2 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-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US 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 553/4885PIK3CA 3765/4885MTOR 4347/4885

“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.