SCHEMBL12296302

SCHEMBL12296302

Fc1cnc(Nc2cc(N3CCOCC3)ncn2)c2nc(-c3c(Cl)cccc3Cl)[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 13/20 0.71
JAK2 O60674 12/20 0.71
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
LCK P06239 1/20 0.42
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PIK3CB P42338 1/20 0.39
EGFR P00533 1/20 0.39
ERBB3 P21860 1/20 0.39

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
SCHEMBL14858410 0.86 JAK2 (0.57) TYK2JAK2ABL1
SCHEMBL14858175 0.86 TYK2 (0.78) TYK2JAK2RAB9ANPC1LCK
SCHEMBL2384356 0.84 TYK2 (0.50) TYK2JAK2
SCHEMBL2383555 0.83 TYK2 (0.61) TYK2JAK2RAB9ANPC1LCK
SCHEMBL2386132 0.81 TYK2 (0.75) TYK2JAK2RAB9ANPC1LCK
SCHEMBL2385329 0.81 TYK2 (0.67) TYK2JAK2RAB9ANPC1LCK
SCHEMBL14858119 0.81 JAK2 (0.67) TYK2JAK2
SCHEMBL2384351 0.79 TYK2 (0.48) TYK2JAK2
SCHEMBL14857962 0.78 TYK2 (0.51) TYK2JAK2
SCHEMBL12294744 0.77 JAK2 (0.62) TYK2JAK2

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 4 patents. 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
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO 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 TYK2 1/4885JAK2 6/4885RAB9A 3219/4885

“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.