SCHEMBL3636113

SCHEMBL3636113

CNCc1cc2cc(F)ccc2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SLC6A4 P31645 11/20 0.39
MAPK13 O15264 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
MAPK12 P53778 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL3637748 0.93 L3MBTL1 (0.43) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL3641019 0.81 CYP2A6 (0.43) L3MBTL1SLC6A4PIK3CDPIK3CAPIK3CB
SCHEMBL3641870 0.80 KDM4E (0.43) SLC6A4KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL3633864 0.79 ATM (0.51) L3MBTL1SLC6A4KCNH2PIK3CDPIK3CA
SCHEMBL14479273 0.77 L3MBTL1 (0.45) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL12540326 0.77 CASP3 (0.43) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL3636095 0.75 CYP2A6 (0.45) L3MBTL1SLC6A4PIK3CDPIK3CAPIK3CB
SCHEMBL21909721 0.74 PIK3CD (0.40) SLC6A4MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL30438707 0.74 PIK3CD (0.40) SLC6A4MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL3642128 0.73 KDM4E (0.43) SLC6A4KCNH2HTR2CHTR2ASLC6A3

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
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 CASP3 1402/4885SENP8 3835/4885SENP7 3056/4885

“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.