SCHEMBL15216449

SCHEMBL15216449

C[C@H](Nc1nccc(Nc2cc([C@H]3C[C@@H]3F)[nH]n2)n1)c1ccc2[nH]ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 16/20 0.77
PAK3 O75914 14/20 0.77
PAK2 Q13177 14/20 0.77
NTRK1 P04629 1/20 0.58
PKN1 Q16512 1/20 0.53
IDH1 O75874 1/20 0.47
PAK4 O96013 1/20 0.45

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
SCHEMBL15216448 1.00 PAK1 (0.77) PAK1PAK3PAK2NTRK1PKN1
SCHEMBL15216612 1.00 PAK1 (0.77) PAK1PAK3PAK2NTRK1PKN1
SCHEMBL15216613 1.00 PAK1 (0.77) PAK1PAK3PAK2NTRK1PKN1
SCHEMBL15208751 1.00 PAK1 (0.77) PAK1PAK3PAK2NTRK1PKN1
SCHEMBL14723174 0.88 PAK1 (0.93) PAK1PAK3PAK2NTRK1PAK4
SCHEMBL15209625 0.88 PAK1 (0.93) PAK1PAK3PAK2NTRK1PAK4
SCHEMBL15209021 0.88 PAK1 (0.82) PAK1PAK3PAK2NTRK1IDH1
SCHEMBL15216435 0.87 PAK1 (0.75) PAK1PAK3PAK2NTRK1IDH1
SCHEMBL15216439 0.87 PAK1 (0.71) PAK1PAK3PAK2NTRK1PKN1
SCHEMBL15216440 0.87 PAK1 (0.71) PAK1PAK3PAK2NTRK1PKN1

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 PAK1 1/4885PAK3 6/4885PAK2 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.