SCHEMBL794010

SCHEMBL794010

Cc1nc(N)cc(N2CCOCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
KMT2A Q03164 4/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
HRH4 Q9H3N8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HTT P42858 1/20 0.45
PIK3CA P42336 2/20 0.45
MTOR P42345 1/20 0.45
ALOX15 P16050 1/20 0.44

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
SCHEMBL5889036 0.88 CRHBP (0.49) CRHBPCRHR2KMT2ACYP1A2CYP2D6
SCHEMBL5144572 0.84 HRH4 (0.58) CRHBPCRHR2KMT2ACYP1A2HRH4
SCHEMBL20241405 0.84 CRHBP (0.44) CRHBPCRHR2KMT2ACYP1A2CYP2D6
SCHEMBL22121021 0.83 CRHBP (0.61) CRHBPCRHR2KMT2ACYP1A2CYP2D6
SCHEMBL30717060 0.83 CRHBP (0.61) CRHBPCRHR2KMT2ACYP1A2CYP2D6
SCHEMBL5788649 0.82 KMT2A (0.72) CRHBPCRHR2KMT2AMAPTPOLB
SCHEMBL3231344 0.82 CRHBP (0.70) CRHBPCRHR2KMT2ACYP1A2CYP2D6
Ammonia Solution, Strong SCHEMBL28615378 0.81 KMT2A (0.70) CRHBPCRHR2KMT2AMAPTPOLB
SCHEMBL3286587 0.81 HRH4 (0.72) HRH4HRH3
SCHEMBL3289509 0.81 KMT2A (0.65) CRHBPCRHR2KMT2ACYP1A2CYP2D6

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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US disclosed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
CN-103209695-A Azabenzothiazole compounds, compositions and methods of use HOFFMANN LA ROCHE 2013-07-17 CN disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 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 (2 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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CRHBP 3589/4885CRHR2 482/4885KMT2A 2299/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CRHBP 3589/4885CRHR2 482/4885KMT2A 2299/4885

“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.