SCHEMBL11960334

SCHEMBL11960334

CC(C)c1cc(N2CC(O)C2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.42
▸ EGLN2 Q96KS0 1/20 0.38
▸ LRRK2 Q5S007 3/20 0.37
▸ HRH4 Q9H3N8 2/20 0.35
▸ RAF1 P04049 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ ITGB2 P05107 2/20 0.35
▸ ICAM1 P05362 2/20 0.35
▸ ITGAL P20701 2/20 0.35
▸ TYK2 P29597 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ ACACB O00763 3/20 0.33

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
SCHEMBL14868421 0.88 ITGB2 (0.45) HRH3LRRK2HRH4ITGB2ICAM1
SCHEMBL14868472 0.88 ITGB2 (0.45) HRH3LRRK2HRH4ITGB2ICAM1
SCHEMBL14868458 0.88 ITGB2 (0.45) HRH3LRRK2HRH4ITGB2ICAM1
SCHEMBL11960320 0.84 LRRK2 (0.45) HRH3LRRK2HRH4ITGB2ICAM1
SCHEMBL15274620 0.83 HRH3 (0.42) HRH3LRRK2HRH4ITGB2ICAM1
SCHEMBL25653339 0.81 LRRK2 (0.45) HRH3LRRK2ITGB2ICAM1ITGAL
SCHEMBL11960323 0.77 SMN1; SMN2 (0.46) HRH3LRRK2HRH4
SCHEMBL11981511 0.77 EGLN2 (0.40) HRH3EGLN2LRRK2HRH4TYK2
SCHEMBL13034784 0.76 SMN1; SMN2 (0.49) HRH3LRRK2HRH4
SCHEMBL12296243 0.75 HRH3 (0.51) HRH3LRRK2HRH4RAF1BRAF

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-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 — — US disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 — — US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 — — US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — 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 (4 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 HRH3 307/4885EGLN2 3527/4885LRRK2 1710/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 HRH3 171/4885EGLN2 2911/4885LRRK2 3622/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R HRH3 605/4885EGLN2 4552/4885LRRK2 4285/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R HRH3 605/4885EGLN2 4552/4885LRRK2 4285/4885

“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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