SCHEMBL1269006

SCHEMBL1269006

Oc1cncc2c1cnn2-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.49
CYP1A2 P05177 1/20 0.49
IRAK4 Q9NWZ3 3/20 0.41
FFAR4 Q5NUL3 6/20 0.41
DPP4 P27487 1/20 0.40
RAB9A P51151 2/20 0.40
GSK3B P49841 1/20 0.39
SCN9A Q15858 1/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SPR P35270 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
SCHEMBL6237291 0.78 CYP17A1 (0.46) CYP17A1CYP1A2IRAK4FFAR4DPP4
SCHEMBL11062025 0.77 CYP17A1 (0.50) CYP17A1CYP1A2IRAK4FFAR4DPP4
SCHEMBL6344984 0.74 CYP17A1 (0.55) CYP17A1CYP1A2DPP4RAB9AGSK3B
SCHEMBL29833912 0.73 IRAK4 (0.53) CYP17A1CYP1A2IRAK4FFAR4RAB9A
SCHEMBL12075537 0.70 IRAK4 (0.57) CYP17A1CYP1A2IRAK4FFAR4RAB9A
SCHEMBL31020506 0.70 IRAK4 (0.57) CYP17A1CYP1A2IRAK4FFAR4RAB9A
SCHEMBL15404558 0.70 CYP17A1 (0.52) CYP17A1CYP1A2IRAK4FFAR4RAB9A
SCHEMBL6071403 0.70 GSK3B (0.52) CYP17A1CYP1A2DPP4RAB9AGSK3B
SCHEMBL30716967 0.69 CYP17A1 (0.64) CYP17A1CYP1A2IRAK4FFAR4DPP4
SCHEMBL26970885 0.69 CYP17A1 (0.64) CYP17A1CYP1A2IRAK4FFAR4DPP4

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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A CYP17A1 308/4885CYP1A2 288/4885IRAK4 964/4885

“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.