SCHEMBL801689

SCHEMBL801689

Cc1ccccc1-c1nc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccncc2)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.48
NEK1 Q96PY6 1/20 0.45
SRC P12931 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 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
SCHEMBL801683 0.86 IGF1R (0.46) IGF1RNEK1
SCHEMBL802386 0.86 IGF1R (0.50) IGF1RNEK1
SCHEMBL805546 0.85 IGF1R (0.47) IGF1RNEK1SRCCCNA2CDK2
SCHEMBL802079 0.85 AURKA (0.57) IGF1RSRCGSK3B
SCHEMBL802688 0.82 IGF1R (0.63) IGF1RNEK1SRCCCNA2CDK2
SCHEMBL802308 0.82 AURKA (0.47) SRCGSK3B
SCHEMBL802086 0.80 PAK4 (0.60) IGF1R
SCHEMBL801760 0.74 IGF1R (0.47) IGF1RNEK1
SCHEMBL801666 0.74 AURKA (0.67) IGF1RSRCCCNA2CDK2GSK3B
SCHEMBL802363 0.73 AURKA (0.62) IGF1RSRCGSK3B

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 IGF1R 293/4885NEK1 270/4885SRC 208/4885

“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.