SCHEMBL793820

SCHEMBL793820

Fc1ccc(F)c(-c2nc3ccnc(Cl)c3s2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
TYK2 P29597 5/20 0.37
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
APP P05067 3/20 0.34
ILK Q13418 1/20 0.34
TGFBR1 P36897 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
EIF4E P06730 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL790220 0.91 KMO (0.39) CCNE1CDK2CDC7DBF4TYK2
SCHEMBL793425 0.84 TYK2 (0.44) CDC7DBF4TYK2TGFBR1KDM4E
SCHEMBL793142 0.77 TYK2 (0.40) CCNE1CDK2CDC7DBF4TYK2
SCHEMBL792430 0.77 RAB9A (0.45) CCNE1CDK2CDC7DBF4TYK2
SCHEMBL792127 0.77 TYK2 (0.43) TYK2RAB9A
SCHEMBL793073 0.75 TYK2 (0.50) CCNE1CDK2TYK2CDK5CDK5R1
SCHEMBL792876 0.73 TYK2 (0.56) TYK2HTTKDM4ERAB9A
SCHEMBL792969 0.71 TYK2 (0.58) TYK2LMNAHTTILKKDM4E
SCHEMBL791951 0.71 TYK2 (0.41) CCNE1CDK2CDC7DBF4TYK2
SCHEMBL792875 0.71 TYK2 (0.41) CCNE1CDK2TYK2CDK5CDK5R1

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 7 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 claimed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
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
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 CCNE1 340/4885CDK2 280/4885CDC7 4150/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CCNE1 340/4885CDK2 280/4885CDC7 4150/4885

“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.