SCHEMBL4979213

SCHEMBL4979213

CCOc1cccc(NC(=O)Cn2cnc3cccc(C#N)c32)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.59
HSD17B10 Q99714 1/20 0.59
KDM4E B2RXH2 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
FKBP4 Q02790 1/20 0.49
FKBP5 Q13451 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
CSNK2A1 P68400 1/20 0.47
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
CSF1R P07333 1/20 0.43
PDGFRB P09619 1/20 0.43
FLT4 P35916 1/20 0.43

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
SCHEMBL3042146 0.91 CSF1R (0.51) KDM4EHPGDKMT2AALDH1A1MAPT
SCHEMBL3038752 0.86 POLB (0.46) HTTHSD17B10KDM4EKMT2AALDH1A1
SCHEMBL4973789 0.82 SMN1; SMN2 (0.49) HTTKDM4EHPGDKMT2AALDH1A1
SCHEMBL3039800 0.82 SMN1; SMN2 (0.54) HTTHSD17B10KMT2AALDH1A1MAPT
SCHEMBL3032795 0.81 RXFP1 (0.59) HSD17B10KDM4ERXFP1KMT2AALDH1A1
SCHEMBL4978479 0.81 SMN1; SMN2 (0.66) HTTKDM4ERXFP1KMT2AALDH1A1
SCHEMBL4979239 0.80 MAPT (0.55) HTTHSD17B10KDM4ERXFP1HPGD
SCHEMBL3042144 0.78 MEN1 (0.64) HTTKDM4EKMT2AALDH1A1MAPT
SCHEMBL4977112 0.78 NPC1 (0.53) HTTKDM4EHPGDKMT2AALDH1A1
SCHEMBL4977105 0.78 RAB9A (0.49) HTTHSD17B10KDM4ERXFP1HPGD

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-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTT 552/4885HSD17B10 1276/4885KDM4E 2707/4885

“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.