SCHEMBL4283149

SCHEMBL4283149

CC(=O)Nc1cnn(CCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.66
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53
TAS2R8 Q9NYW2 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
RPS6KA2 Q15349 1/20 0.48
SCD O00767 6/20 0.48
SCD5 Q86SK9 6/20 0.48
HDAC2 Q92769 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ITK Q08881 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4285528 0.85 NAMPT (0.65) NAMPTHCRTR1HCRTR2TAS2R8RPS6KA2
SCHEMBL3712991 0.80 NAMPT (1.00) NAMPT
SCHEMBL22557129 0.77 ATR (0.57) NAMPTHCRTR1HCRTR2RPS6KA2SCD
SCHEMBL838950 0.75 L3MBTL1 (0.61) NAMPTHDAC3HDAC8HDAC2
SCHEMBL4758493 0.74 NAMPT (0.52) NAMPTHCRTR1HCRTR2TAS2R8HDAC3
SCHEMBL22180874 0.74 JAK3 (0.42) NAMPTHCRTR1HCRTR2TAS2R8RPS6KA2
SCHEMBL28218622 0.72 NAMPT (0.53) NAMPTHDAC3HDAC8HDAC2KMT2A
SCHEMBL11091207 0.72 NAMPT (0.49) NAMPTHDAC2
SCHEMBL15336436 0.72 GAA (0.49) NAMPTHCRTR1HCRTR2TAS2R8HDAC2
SCHEMBL4288489 0.72 MAPT (0.60) NAMPTTAS2R8HDAC3HDAC8NCOR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP NAMPT 954/4885HCRTR1 2187/4885HCRTR2 3060/4885

“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.