SCHEMBL22535281

SCHEMBL22535281

Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ccccn2)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.54
PAK1 Q13153 4/20 0.52
PAK3 O75914 3/20 0.52
PAK2 Q13177 3/20 0.52
IGF1R P08069 8/20 0.51
NEK1 Q96PY6 1/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL22535309 0.92 NTRK1 (0.52) NTRK1PAK1PAK3PAK2IGF1R
SCHEMBL22535638 0.91 NTRK1 (0.51) NTRK1PAK1PAK3PAK2IGF1R
SCHEMBL22535808 0.91 NTRK1 (0.55) NTRK1PAK1PAK3PAK2IGF1R
SCHEMBL22535328 0.89 NTRK1 (0.49) NTRK1PAK1PAK3PAK2IGF1R
SCHEMBL22535573 0.87 PAK1 (0.51) NTRK1PAK1PAK3PAK2IGF1R
SCHEMBL22535280 0.85 NTRK1 (0.73) NTRK1PAK1PAK3PAK2JAK2
SCHEMBL22535279 0.82 IGF1R (0.55) NTRK1PAK1PAK3PAK2IGF1R
SCHEMBL22535617 0.81 NTRK1 (0.58) NTRK1PAK1PAK3PAK2IGF1R
SCHEMBL4070121 0.81 IGF1R (0.78) NTRK1IGF1R
SCHEMBL22535699 0.81 NTRK1 (0.52) NTRK1PAK1PAK3PAK2IGF1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 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-10800760-B2 Trk inhibition NTRK1, NTRK3, NTRK2 NTRK1 1/4885PAK1 678/4885PAK3 478/4885

“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.