SCHEMBL4285528

SCHEMBL4285528

O=C(Nc1cnn(CCc2ccccc2)c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.65
SMN1; SMN2 Q16637 1/20 0.56
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
TAS2R8 Q9NYW2 1/20 0.55
RPS6KA2 Q15349 1/20 0.55
ALDH1A1 P00352 3/20 0.55
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
SCD5 Q86SK9 6/20 0.50
SCD O00767 5/20 0.50
ITK Q08881 1/20 0.50
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4283175 0.86 NAMPT (0.69) NAMPTSMN1; SMN2TAS2R8ALDH1A1SCD5
SCHEMBL4283149 0.85 NAMPT (0.66) NAMPTSMN1; SMN2HCRTR1HCRTR2TAS2R8
SCHEMBL22557129 0.81 ATR (0.57) NAMPTHCRTR1HCRTR2RPS6KA2SCD5
SCHEMBL4508322 0.81 SMN1; SMN2 (0.57) NAMPTSMN1; SMN2HCRTR1HCRTR2RPS6KA2
SCHEMBL10195016 0.80 TAS2R8 (0.53) NAMPTSMN1; SMN2HCRTR1HCRTR2TAS2R8
SCHEMBL30963203 0.79 HCRTR2 (0.56) NAMPTSMN1; SMN2HCRTR1HCRTR2TAS2R8
SCHEMBL3712991 0.79 NAMPT (1.00) NAMPT
SCHEMBL31224791 0.77 RPS6KA2 (0.49) NAMPTSMN1; SMN2HCRTR1HCRTR2RPS6KA2
SCHEMBL6966254 0.77 EGFR (0.70) NAMPTSMN1; SMN2TAS2R8ALDH1A1MAPT
SCHEMBL838950 0.77 L3MBTL1 (0.61) NAMPTADORA3ADORA2AADORA1

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 954/4885SMN1; SMN2 4064/4885HCRTR1 2187/4885

“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.