SCHEMBL14868472

SCHEMBL14868472

CC(C)c1cc(N2CC[C@H](O)C2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 4/20 0.45
▸ ICAM1 P05362 4/20 0.45
▸ ITGAL P20701 4/20 0.45
▸ HRH4 Q9H3N8 4/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.44
▸ DPP4 P27487 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ LRRK2 Q5S007 3/20 0.40
▸ CCR6 P51684 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PRCP P42785 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ PRKDC P78527 1/20 0.35

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
SCHEMBL14868458 1.00 ITGB2 (0.45) ITGB2ICAM1ITGALHRH4HRH3
SCHEMBL14868421 1.00 ITGB2 (0.45) ITGB2ICAM1ITGALHRH4HRH3
SCHEMBL11960320 0.91 LRRK2 (0.45) ITGB2ICAM1ITGALHRH4HRH3
SCHEMBL11960334 0.88 HRH3 (0.42) ITGB2ICAM1ITGALHRH4HRH3
SCHEMBL14872316 0.80 DPP4 (0.44) ITGB2ICAM1ITGALHRH4HRH3
SCHEMBL14872323 0.80 DPP4 (0.44) ITGB2ICAM1ITGALHRH4HRH3
SCHEMBL12296242 0.80 DPP4 (0.44) ITGB2ICAM1ITGALHRH4HRH3
SCHEMBL11960323 0.76 SMN1; SMN2 (0.46) HRH4HRH3LRRK2
SCHEMBL14349228 0.75 ITGB2 (0.52) ITGB2ICAM1ITGALHRH4LRRK2
SCHEMBL15274620 0.75 HRH3 (0.42) ITGB2ICAM1ITGALHRH4HRH3

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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 — — 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 ITGB2 1071/4885ICAM1 2591/4885ITGAL 991/4885

“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.

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