SCHEMBL807735

SCHEMBL807735

Cc1cc(N)nc(N2CCN(CCO)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HRH4 Q9H3N8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ SORD Q00796 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ HTR2A P28223 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42

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
SCHEMBL11981508 0.89 MEN1 (0.62) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL11960311 0.80 MEN1 (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL7486793 0.79 HTR1A (0.53) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL22148449 0.77 HRH4 (0.58) MEN1KMT2AHRH4ALDH1A1KDM4E
SCHEMBL30788620 0.77 HRH4 (0.58) MEN1KMT2AHRH4ALDH1A1KDM4E
SCHEMBL793547 0.77 HRH4 (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL30011158 0.77 HRH4 (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL5792508 0.77 CRHBP (0.60) HRH4SMN1; SMN2MAPT
SCHEMBL13033015 0.76 SORD (0.54) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL13033969 0.75 ACHE (0.56) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640722-B1 PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS HOFFMANN LA ROCHE (CH) 2015-11-04 — — EP disclosed
WO-2015091584-A1 THIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS TYK2 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 — — WO 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
CN-102869359-A Imidazopyridine and purine compounds, compositions, and methods of use HOFFMANN LA ROCHE 2013-01-09 — — CN disclosed
WO-2012066061-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-24 — — WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 — — WO 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 MEN1 4055/4885KMT2A 2005/4885CYP3A4 858/4885

“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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