SCHEMBL1368683

SCHEMBL1368683

Nc1nc(N)c(CC2CCCO2)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
PDE8B O95263 11/20 0.39
ALDH1A1 P00352 1/20 0.37
PIK3CA P42336 1/20 0.37
TNK2 Q07912 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL5591783 0.76 DHFR (0.45) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30515644 0.76 DHFR (0.45) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28573064 0.75 PDE8B (0.44) PDE8B
SCHEMBL18109475 0.75 DHFR (0.47)
SCHEMBL18109476 0.74 TNK2 (0.39) PDE8BTNK2MEN1CYP1A2CYP3A4
SCHEMBL21467313 0.69 MCL1 (0.35) MCL1PDE8BALDH1A1TNK2MEN1
SCHEMBL15884449 0.69 POLB (0.45) ALDH1A1EPHX2
SCHEMBL28066916 0.68 PDE8B (0.39) MCL1PDE8BALDH1A1TNK2MEN1
SCHEMBL25429971 0.67 PDE8B (0.39) PDE8BALDH1A1PIK3CAMEN1CYP1A2
SCHEMBL6364218 0.67 CYP1A2 (0.33) ALDH1A1PIK3CATNK2MEN1CYP1A2

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-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2011-11-24 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-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R MCL1 3881/4885PDE8B 3594/4885ALDH1A1 2121/4885

“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.