SCHEMBL15216588

SCHEMBL15216588

CCN(Cc1cccc2[nH]ncc12)c1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 2/20 0.54
PAK1 Q13153 2/20 0.54
PAK2 Q13177 2/20 0.54
IGF1R P08069 7/20 0.49
NTRK1 P04629 10/20 0.46
JAK2 O60674 1/20 0.44
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL15216594 0.92 IGF1R (0.58) PAK3PAK1PAK2IGF1RNTRK1
SCHEMBL15216586 0.89 PAK3 (0.65) PAK3PAK1PAK2IGF1RNTRK1
SCHEMBL15216585 0.82 PAK3 (0.65) PAK3PAK1PAK2IGF1RNTRK1
SCHEMBL15208013 0.78 PAK1 (0.82) PAK3PAK1PAK2IGF1RNTRK1
SCHEMBL15208652 0.78 PAK3 (0.67) PAK3PAK1PAK2IGF1RNTRK1
SCHEMBL15216583 0.78 PAK1 (0.60) PAK3PAK1PAK2IGF1R
SCHEMBL15208763 0.78 PAK1 (0.65) PAK3PAK1PAK2IGF1R
SCHEMBL15216601 0.77 NTRK1 (0.46) PAK3PAK1PAK2IGF1RNTRK1
SCHEMBL15208539 0.75 NTRK1 (0.45) PAK3PAK1PAK2IGF1RNTRK1
SCHEMBL15209026 0.74 IGF1R (0.51) PAK3PAK1PAK2IGF1RNTRK1

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.