SCHEMBL15216601

SCHEMBL15216601

CCN(Cc1ccc2[nH]cnc2c1)c1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.46
IGF1R P08069 8/20 0.45
JAK2 O60674 1/20 0.44
PAK1 Q13153 4/20 0.44
AURKA O14965 1/20 0.44
PAK4 O96013 1/20 0.44
NUAK1 O60285 1/20 0.44
PAK3 O75914 3/20 0.40
PAK2 Q13177 3/20 0.40
ULK1 O75385 1/20 0.39
PDK1 Q15118 1/20 0.39
ULK2 Q8IYT8 1/20 0.39

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
SCHEMBL15216600 0.91 PAK1 (0.52) NTRK1IGF1RJAK2PAK1AURKA
SCHEMBL15216604 0.87 IGF1R (0.44) NTRK1IGF1RJAK2PAK1AURKA
SCHEMBL15216447 0.85 PAK1 (0.59) IGF1RPAK1AURKAPAK4PAK3
SCHEMBL15216602 0.78 PAK1 (0.58) IGF1RPAK1AURKAPAK4PAK3
SCHEMBL15216468 0.77 NTRK1 (0.62) NTRK1IGF1RJAK2PAK1PAK3
SCHEMBL15216588 0.77 PAK3 (0.54) NTRK1IGF1RJAK2PAK1PAK3
SCHEMBL15208620 0.77 PAK1 (0.55) IGF1RPAK1AURKAPAK4PAK3
SCHEMBL15208636 0.76 PAK1 (0.75) NTRK1IGF1RJAK2PAK1AURKA
SCHEMBL15216546 0.76 PAK1 (0.61) IGF1RPAK1AURKAPAK4PAK3
SCHEMBL15216586 0.76 PAK3 (0.65) NTRK1IGF1RJAK2PAK1PAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 NTRK1 2347/4885IGF1R 584/4885JAK2 461/4885

“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.