SCHEMBL4503764

SCHEMBL4503764

COc1ccc(CNc2ncc(C#N)c3sc(C4=CCCC4)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
PDE5A O76074 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 3/20 0.37
POLB P06746 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 2/20 0.37
CTSL P07711 1/20 0.37
GAA P10253 1/20 0.36
VNN1 O95497 2/20 0.36
RAB9A P51151 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPT P10636 1/20 0.35
SRC P12931 1/20 0.34
APP P05067 1/20 0.34
TSHR P16473 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
SCHEMBL4494912 0.82 CHEK1 (0.51) VNN1AURKARPS6KB1
SCHEMBL13606457 0.81 PDE5A (0.45) NPC1PDE5AMEN1KMT2AEGFR
SCHEMBL4495080 0.80 PDE5A (0.44) NPC1PDE5AMEN1KMT2AEGFR
SCHEMBL4498229 0.80 PDE5A (0.44) NPC1PDE5AMEN1KMT2AEGFR
SCHEMBL13606493 0.80 CTSL (0.44) NPC1PDE5AMEN1KMT2AEGFR
SCHEMBL5775066 0.79 HTT (0.40) NPC1PDE5AMEN1KMT2AEGFR
SCHEMBL13606496 0.79 CCNE2 (0.41) NPC1PDE5AMEN1KMT2AEGFR
SCHEMBL4503766 0.79 PDE5A (0.39) NPC1PDE5AMEN1KMT2AEGFR
SCHEMBL4497191 0.78 PDE5A (0.45) NPC1PDE5AMEN1KMT2AEGFR
SCHEMBL4509348 0.73 PDE5A (0.45) NPC1PDE5AMEN1KMT2AEGFR

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-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 US 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA NPC1 1825/4885PDE5A 4558/4885MEN1 4619/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA NPC1 1825/4885PDE5A 4558/4885MEN1 4619/4885

“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.