SCHEMBL15216468

SCHEMBL15216468

CC[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]cnc2c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.62
IGF1R P08069 8/20 0.58
JAK2 O60674 1/20 0.56
PAK3 O75914 1/20 0.51
PAK1 Q13153 1/20 0.51
PAK2 Q13177 1/20 0.51

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
SCHEMBL15217677 0.85 PAK1 (0.70) NTRK1IGF1RPAK3PAK1PAK2
SCHEMBL15217662 0.85 PAK1 (0.70) NTRK1IGF1RPAK3PAK1PAK2
SCHEMBL15209086 0.85 PAK1 (0.70) NTRK1IGF1RPAK3PAK1PAK2
SCHEMBL15217683 0.81 NTRK1 (0.72) NTRK1IGF1RJAK2PAK3PAK1
SCHEMBL15208643 0.80 NTRK1 (0.63) NTRK1IGF1RJAK2PAK3PAK1
SCHEMBL15209316 0.78 IGF1R (0.44) NTRK1IGF1RPAK3PAK1PAK2
SCHEMBL23216996 0.77 NTRK1 (0.83) NTRK1IGF1RJAK2
SCHEMBL3342109 0.77 NTRK1 (0.83) NTRK1IGF1RJAK2
SCHEMBL15208157 0.77 IGF1R (0.46) NTRK1IGF1RPAK3PAK1PAK2
SCHEMBL15209220 0.77 IGF1R (0.46) NTRK1IGF1RPAK3PAK1PAK2

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.