SCHEMBL23219792

SCHEMBL23219792

CCCCCC(C)Nc1ccc(OC)nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TACR2 P21452 1/20 0.38
CRHR1 P34998 1/20 0.38
PDE10A Q9Y233 3/20 0.38
CYP1A2 P05177 2/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
ADRB2 P07550 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NQO2 P16083 1/20 0.36
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
MAOB P27338 1/20 0.36
PDE4A P27815 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
SCHEMBL19766584 0.77 NNMT (0.42) TACR2CRHR1PDE10ACYP1A2
SCHEMBL15391176 0.74 ADH1B (0.43) IDO1ADRB2OPRM1KDM4EALDH1A1
SCHEMBL20940136 0.72 NNMT (0.38) TACR2CRHR1PDE10ASLC6A2SLC6A4
SCHEMBL21604162 0.71 NNMT (0.42) PDE10APDE4APDE4DPDE3A
SCHEMBL11524920 0.70 IDO1 (0.43) IDO1ADRB2KDM4E
SCHEMBL11526271 0.69 ADH1B (0.44) IDO1ADRB2KDM4EALDH1A1
SCHEMBL11527742 0.69 ADH1B (0.44) IDO1ADRB2KDM4EALDH1A1
SCHEMBL10597073 0.69 ADH1B (0.44) IDO1ADRB2KDM4EALDH1A1
SCHEMBL24012608 0.68 IDO1 (0.34) IDO1KDM4E
SCHEMBL11529228 0.67 L3MBTL1 (0.56) IDO1CYP1A2KDM4EALDH1A1TP53

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-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors INCYTE CORPORATION (US) 2021-04-13 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-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors PIK3R5, PIK3CD, PIK3CA IDO1 552/4885TACR2 4576/4885CRHR1 3979/4885

“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.