SCHEMBL802320

SCHEMBL802320

Cc1ccccc1-c1cc(Nc2cc(C3CC3)[nH]n2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.55
GSK3A P49840 1/20 0.55
PAK4 O96013 1/20 0.51
PAK1 Q13153 1/20 0.51
ULK1 O75385 1/20 0.48
IGF1R P08069 3/20 0.48
NTRK1 P04629 2/20 0.48
ACP1 P24666 1/20 0.47
SRC P12931 3/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
AURKB Q96GD4 1/20 0.47
NTRK3 Q16288 1/20 0.45
NTRK2 Q16620 1/20 0.45
SLC2A1 P11166 1/20 0.44

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
SCHEMBL801663 0.87 IGF1R (0.51) GSK3BGSK3APAK4PAK1ULK1
SCHEMBL12619761 0.85 ACP1 (0.56) GSK3BGSK3APAK4PAK1ULK1
SCHEMBL802026 0.84 GSK3B (0.76) GSK3BGSK3ANTRK1SRCAURKB
SCHEMBL802833 0.81 ACP1 (0.47) GSK3BGSK3AACP1SLC2A1
SCHEMBL13055187 0.77 PAK4 (0.44) GSK3BGSK3APAK4PAK1ULK1
SCHEMBL801760 0.76 IGF1R (0.47) IGF1R
SCHEMBL801861 0.75 GSK3A (0.50) GSK3BGSK3AACP1SLC2A1
SCHEMBL802386 0.75 IGF1R (0.50) IGF1R
SCHEMBL802725 0.75 IGF1R (0.46) ULK1IGF1R
SCHEMBL12430696 0.73 ULK1 (0.65) GSK3BPAK4PAK1ULK1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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 (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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3B 1/4885GSK3A 2/4885PAK4 973/4885

“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.