SCHEMBL8243146

SCHEMBL8243146

Cc1cc(Nc2nc(N3CCCC3C)nc3ncccc23)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 3/20 0.46
▸ PAK1 Q13153 3/20 0.46
▸ PLK4 O00444 1/20 0.44
▸ SPAST Q9UBP0 1/20 0.42
▸ AURKA O14965 8/20 0.42
▸ AURKB Q96GD4 5/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ SRC P12931 4/20 0.41
▸ GSK3B P49841 4/20 0.41
▸ GRM4 Q14833 1/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ IGF1R P08069 2/20 0.41
▸ NTRK1 P04629 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
SCHEMBL4524542 0.81 IGF1R (0.50) PAK4PAK1PLK4AURKATYK2
SCHEMBL4524538 0.81 IGF1R (0.50) PAK4PAK1PLK4AURKATYK2
SCHEMBL10267511 0.77 AURKA (0.53) PAK4PLK4AURKAAURKBSRC
SCHEMBL30227668 0.75 PLK4 (0.62) PAK4PLK4AURKAAURKBSRC
SCHEMBL802876 0.75 PLK4 (0.62) PAK4PLK4AURKAAURKBSRC
SCHEMBL23889479 0.75 PLK4 (0.50) PAK4PLK4AURKATYK2JAK3
SCHEMBL13633931 0.75 PAK4 (0.52) PAK4PAK1PLK4AURKAAURKB
SCHEMBL4513602 0.75 PAK4 (0.45) PAK4PAK1PLK4AURKAAURKB
SCHEMBL22072741 0.75 SPAST (0.76) PAK4PAK1PLK4SPASTIGF1R
SCHEMBL4525983 0.75 AURKA (0.47) PAK4PAK1PLK4AURKAAURKB

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
EP-1931322-B1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MERCK SERONO SA (CH) 2012-08-15 — — EP disclosed
EP-2266561-A2 IKK Inhibitors for the Treatment of Endometriosis Merck Serono S.A. (CH) 2010-12-29 — — EP disclosed
US-20100069387-A1 IKK Inhibitors for the Treatment of Endometriosis MERCK SERONO SA (CH) 2010-03-18 — — US disclosed
US-20100069387-A1 IKK Inhibitors for the Treatment of Endometriosis MERCK SERONO SA (CH) 2010-03-18 — — US disclosed
WO-2007030362-A1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO SA. (CH) 2007-03-15 — — 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-20100069387-A1 IKK Inhibitors for the Treatment of Endometriosis NFKBIA, IKBKG, IKBKE PAK4 2053/4885PAK1 1343/4885PLK4 987/4885

“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.

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