SCHEMBL933642

SCHEMBL933642

CC(=O)c1ccc(-c2ncc3cc(C(C)=O)ccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
LCK P06239 1/20 0.46
KIT P10721 1/20 0.46
SRC P12931 1/20 0.46
MAP4K4 O95819 1/20 0.44
CSNK1G2 P78368 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B1 P14061 1/20 0.42
MAPT P10636 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC2A1 P11166 1/20 0.41
XDH P47989 1/20 0.41

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
SCHEMBL933850 0.77 GSK3B (0.41) MAOAMAOBCYP1A2SMN1; SMN2MAPT
SCHEMBL933650 0.77 PTPN1 (0.47) MAOAMAOBCYP1A2
SCHEMBL9939279 0.75 CHEK1 (0.46) MAOAMAOBMAPTALDH1A1KDM4E
SCHEMBL9938089 0.74 KDM4E (0.55) MAOAMAOBMAP4K4SMN1; SMN2ALDH1A1
SCHEMBL24117372 0.73 CYP2A6 (0.56) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL29869986 0.73 TNIK (0.56) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL23691953 0.72 MAPT (0.60) ADORA3SMN1; SMN2HSD17B1MAPTPIK3CA
SCHEMBL15447361 0.72 MAP4K4 (0.46) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL29869661 0.72 MAP4K4 (0.46) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL933100 0.71 MAOA (0.40) MAOAMAOBLCKKITSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS MAOA 2481/4885MAOB 1486/4885LCK 1412/4885

“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.