SCHEMBL25844376

SCHEMBL25844376

CN(C)c1ncnc2ccc(O)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.59
CYP3A4 P08684 13/20 0.59
CLK4 Q9HAZ1 12/20 0.59
LMNA P02545 10/20 0.59
ALDH1A1 P00352 10/20 0.59
MAPK1 P28482 8/20 0.59
HSD17B10 Q99714 3/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP2C9 P11712 3/20 0.55
CYP2D6 P10635 8/20 0.54
CYP2C19 P33261 7/20 0.54
TSHR P16473 7/20 0.54
HIF1A Q16665 5/20 0.52
USP2 O75604 3/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 2/20 0.50

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
SCHEMBL31031351 0.80 CYP1A2 (0.61) CYP1A2CYP3A4CLK4LMNAALDH1A1
SCHEMBL2998447 0.79 EGFR (0.68) CYP1A2CYP3A4CLK4LMNAALDH1A1
SCHEMBL6598291 0.79 CYP1A2 (0.59) CYP1A2CYP3A4CLK4LMNAALDH1A1
SCHEMBL4357581 0.79 ALDH1A1 (0.69) CYP1A2CYP3A4CLK4LMNAALDH1A1
SCHEMBL13599958 0.76 PARP1 (0.44) CYP1A2CLK4LMNAALDH1A1HSD17B10
SCHEMBL30317618 0.75 PARP1 (0.47) LMNAALDH1A1GLAHPGDEGFR
SCHEMBL1192531 0.75 PARP1 (0.47) LMNAALDH1A1GLAHPGDEGFR
SCHEMBL31031354 0.75 CYP1A2 (0.55) CYP1A2CYP3A4CLK4LMNAALDH1A1
SCHEMBL2880252 0.75 CYP1A2 (0.55) CYP1A2CYP3A4CLK4LMNAALDH1A1
SCHEMBL4741965 0.75 EGFR (0.63) LMNAALDH1A1TP53HIF1AHPGD

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-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 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-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 CYP1A2 4507/4885CYP3A4 4454/4885CLK4 2718/4885

“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.