SCHEMBL2371567

SCHEMBL2371567

CN1CCN(c2cnc(Nc3nccc4nc(-c5c(Cl)cccc5Cl)[nH]c34)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.46
TYK2 P29597 15/20 0.46
ABL1 P00519 1/20 0.42
PTPN11 Q06124 1/20 0.38
JAK3 P52333 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL2372075 0.89 JAK2 (0.59) JAK2TYK2ABL1JAK3FGFR1
SCHEMBL2382606 0.89 JAK2 (0.56) JAK2TYK2ABL1FGFR1SRC
SCHEMBL2371499 0.86 TYK2 (0.62) JAK2TYK2ABL1JAK3
SCHEMBL2372671 0.84 JAK2 (0.54) JAK2TYK2ABL1PTPN11JAK3
SCHEMBL2386545 0.83 TYK2 (0.50) JAK2TYK2ABL1PTPN11
SCHEMBL2371709 0.83 JAK2 (0.49) JAK2TYK2JAK3
SCHEMBL2371870 0.81 TYK2 (0.56) JAK2TYK2ABL1SRC
SCHEMBL2372197 0.79 TYK2 (0.52) JAK2TYK2
SCHEMBL2371968 0.78 TYK2 (0.54) JAK2TYK2ABL1SRC
SCHEMBL12295383 0.77 TYK2 (0.70) JAK2TYK2JAK3

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 6 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
EP-2547338-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-01-23 EP disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO 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 JAK2 6/4885TYK2 1/4885ABL1 152/4885

“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.