SCHEMBL15216586

SCHEMBL15216586

CCN(Cc1cc(F)cc2[nH]ncc12)c1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 2/20 0.65
PAK1 Q13153 2/20 0.65
PAK2 Q13177 2/20 0.65
JAK2 O60674 1/20 0.47
NTRK1 P04629 12/20 0.46
IGF1R P08069 4/20 0.44
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL15216585 0.92 PAK3 (0.65) PAK3PAK1PAK2JAK2NTRK1
SCHEMBL15216588 0.89 PAK3 (0.54) PAK3PAK1PAK2JAK2NTRK1
SCHEMBL15208652 0.89 PAK3 (0.67) PAK3PAK1PAK2JAK2NTRK1
SCHEMBL15208013 0.87 PAK1 (0.82) PAK3PAK1PAK2NTRK1IGF1R
SCHEMBL15216594 0.81 IGF1R (0.58) PAK3PAK1PAK2JAK2NTRK1
SCHEMBL15216605 0.80 PAK1 (0.83) PAK3PAK1PAK2NTRK1IGF1R
SCHEMBL15216557 0.79 PAK1 (0.82) PAK3PAK1PAK2NTRK1IGF1R
SCHEMBL15210215 0.79 PAK1 (0.81) PAK3PAK1PAK2NTRK1IGF1R
SCHEMBL15216565 0.79 PAK1 (0.77) PAK3PAK1PAK2NTRK1IGF1R
SCHEMBL15216595 0.79 PAK1 (1.00) PAK3PAK1PAK2NTRK1IGF1R

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 PAK3 6/4885PAK1 1/4885PAK2 15/4885

“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.