SCHEMBL15059697

SCHEMBL15059697

C[C@@H](Nc1nc(N)c(F)c(-c2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 15/20 0.57
PAK3 O75914 13/20 0.57
PAK2 Q13177 13/20 0.57
NTRK1 P04629 5/20 0.39
PAK4 O96013 1/20 0.38

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
SCHEMBL15059551 1.00 PAK1 (0.57) PAK1PAK3PAK2NTRK1PAK4
SCHEMBL15059652 0.83 PAK1 (0.62) PAK1PAK3PAK2NTRK1PAK4
SCHEMBL15059617 0.83 PAK1 (0.62) PAK1PAK3PAK2NTRK1PAK4
SCHEMBL15060292 0.82 PAK1 (0.57) PAK1PAK3PAK2PAK4
SCHEMBL15208589 0.82 PAK1 (0.39) PAK1PAK3PAK2NTRK1
SCHEMBL15209307 0.82 PAK1 (0.39) PAK1PAK3PAK2NTRK1
SCHEMBL15091329 0.82 PAK1 (0.57) PAK1PAK3PAK2PAK4
SCHEMBL15208788 0.82 PAK1 (0.39) PAK1PAK3PAK2NTRK1
SCHEMBL4152477 0.80 NTRK1 (0.55) NTRK1
SCHEMBL15091419 0.77 PAK1 (0.64) PAK1PAK3PAK2NTRK1PAK4

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
EP-2794605-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 EP claimed
US-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US claimed
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US claimed
WO-2013092940-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO claimed

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-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, PAK3 PAK1 1/4885PAK3 3/4885PAK2 14/4885

“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.