SCHEMBL12295196

SCHEMBL12295196

Cc1cc(C)nc(N(C)CCO)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.42
HCRTR2 O43614 11/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CRHR1 P34998 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL15107931 0.86 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1LMNACA12
SCHEMBL11960315 0.84 CRHR1 (0.37) HCRTR1HCRTR2ALDH1A1LMNACA12
SCHEMBL1031875 0.82 CA12 (0.46) MAPK1ALDH1A1LMNACA12CA1
SCHEMBL13034404 0.81 SLC29A1 (0.50) MEN1GAAMAPK1KMT2AALDH1A1
SCHEMBL12870953 0.81 HCRTR1 (0.46) HCRTR1HCRTR2CRHR1
SCHEMBL7455090 0.79 POLB (0.39) MEN1GAAMAPK1KMT2AALDH1A1
SCHEMBL11765891 0.78 CA12 (0.42) MAPK1ALDH1A1LMNACA12CA1
SCHEMBL11235758 0.77 CA12 (0.38) MAPK1ALDH1A1CA12CA1CA2
SCHEMBL13034401 0.76 SLC29A1 (0.53) HCRTR1HCRTR2MEN1GAAMAPK1
SCHEMBL11764977 0.76 LMNA (0.52) ALDH1A1LMNACA12CA1CA2

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 10 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
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-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-07-24 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-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 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
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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 (5 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 HCRTR1 2052/4885HCRTR2 1683/4885MEN1 4055/4885
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX6, P2RY6, CYP2D6 HCRTR1 764/4885HCRTR2 997/4885MEN1 2558/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 HCRTR1 1315/4885HCRTR2 1547/4885MEN1 2362/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HCRTR1 2233/4885HCRTR2 2689/4885MEN1 1312/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R HCRTR1 1120/4885HCRTR2 1118/4885MEN1 1285/4885

“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.