SCHEMBL5654736

SCHEMBL5654736

Nc1c(N=Cc2cccnc2)cnn1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GSK3B P49841 1/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP17A1 P05093 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5655520 1.00 CYP1A2 (0.43) CYP1A2CYP3A4HPGDLMNAHSD17B10
SCHEMBL5654249 0.77 MAPT (0.54) CYP1A2HPGDHSD17B10ALDH1A1RAB9A
SCHEMBL5655026 0.72 ALDH1A1 (0.42) HPGDLMNAHSD17B10ALDH1A1NPC1
SCHEMBL5655023 0.72 ALDH1A1 (0.42) HPGDLMNAHSD17B10ALDH1A1NPC1
SCHEMBL3252316 0.69 RAB9A (0.52) CYP1A2HPGDHSD17B10ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6087752 0.68 RAB9A (0.51) CYP1A2HPGDHSD17B10ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL5415490 0.68 RAB9A (0.51) CYP1A2HPGDHSD17B10ALDH1A1RAB9A
SCHEMBL8345215 0.68 GSK3B (0.81) CYP1A2CYP3A4MAPTGSK3BGAA
SCHEMBL8559135 0.67 RAB9A (0.50) CYP1A2HPGDLMNAHSD17B10ALDH1A1
SCHEMBL19947458 0.65

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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US claimed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 CYP1A2 276/4885CYP3A4 200/4885HPGD 169/4885

“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.