SCHEMBL3102196

SCHEMBL3102196

CCOc1ccccc1Cn1cnc(-c2ccc(F)cc2Cl)c1CN

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2L2 Q92843 2/20 0.42
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 3/20 0.36
HSD11B1 P28845 1/20 0.35
PDE5A O76074 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
DPP4 P27487 3/20 0.34
P2RX7 Q99572 2/20 0.34
SLC2A1 P11166 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL3084277 0.91 DPP4 (0.43) BCL2L2HSP90AA1HSP90B1MAPTPDE5A
SCHEMBL3099449 0.90 BCL2L2 (0.43) BCL2L2HSP90AA1HSP90B1MAPK1MAPT
SCHEMBL3604333 0.87 KDM4C (0.44) HSD11B1KDM4CDPP4P2RX7
SCHEMBL3092318 0.87 HSD17B13 (0.40) BCL2L2SLC6A2SLC6A3SLC6A4DPP4
SCHEMBL3092637 0.86 P2RX7 (0.41) BCL2L2HSD11B1KDM4CDPP4P2RX7
SCHEMBL3092256 0.86 CNR1 (0.39) MAPTHSD11B1PDE5AKDM4CDPP4
SCHEMBL3078422 0.84 ALDH1A1 (0.38) MAPK1MAPTKDM4CDPP4P2RX7
SCHEMBL3089615 0.83 P2RX7 (0.42) HSD11B1KDM4CDPP4P2RX7
SCHEMBL3096019 0.82 DPP4 (0.45) BCL2L2HSD11B1DPP4
SCHEMBL3598866 0.82 HSD11B1 (0.43) HSP90AA1HSP90B1MAPK1HSD11B1KDM4C

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
EP-2007734-A1 ENZYME INHIBITORS Probiodrug AG (DE) 2008-12-31 EP disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 WO disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA BCL2L2 4168/4885HSP90AA1 3639/4885HSP90B1 3323/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 BCL2L2 3933/4885HSP90AA1 3001/4885HSP90B1 2894/4885

“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.