SCHEMBL24312102

SCHEMBL24312102

O=c1[nH]c2cnccc2cc1I

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.65
PARP1 P09874 4/20 0.45
HASPIN Q8TF76 3/20 0.41
PIM1 P11309 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
KDM5A P29375 5/20 0.40
MAPT P10636 1/20 0.39
SNCA P37840 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CSNK2A1 P68400 1/20 0.37
TNKS O95271 1/20 0.37
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 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
SCHEMBL21957317 0.86 DAO (0.65) DAOPARP1HASPINPIM1PDE3B
SCHEMBL3423734 0.79 DAO (1.00) DAOPARP1KDM5AKDM5CKDM5B
SCHEMBL30474114 0.79 DAO (0.65) DAOPARP1PDE3BPDE3AHRH4
SCHEMBL15906825 0.79 DAO (0.65) DAOPARP1PDE3BPDE3AHRH4
SCHEMBL25320223 0.79 DAO (0.65) DAOPARP1PDE3BPDE3AHRH4
SCHEMBL15272584 0.79 DAO (0.65) DAOPARP1HASPINPIM1PDE3B
SCHEMBL7494057 0.77 DAO (0.53) DAOHASPINPIM1PDE3BPDE3A
SCHEMBL12463827 0.76 DAO (0.61) DAOPARP1HRH4KDM5A
SCHEMBL15270655 0.75 DAO (0.64) DAOPARP1HRH4KDM5AMAPT
SCHEMBL22016193 0.75 DAO (0.59) DAOPARP1PDE3BPDE3AHRH4

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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B DAO 4523/4885PARP1 1472/4885HASPIN 2648/4885

“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.