SCHEMBL22535673

SCHEMBL22535673

CC(Nc1cc(Nc2cc(C3CCCO3)[nH]n2)ncn1)c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 10/20 0.41
▸ JAK2 O60674 3/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ ALK Q9UM73 3/20 0.37
▸ PAK1 Q13153 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ PAK3 O75914 1/20 0.34
▸ PAK2 Q13177 1/20 0.34
▸ SOS1 Q07889 1/20 0.34

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
SCHEMBL22535446 0.88 NTRK1 (0.40) NTRK1JAK2JAK3ALKPAK1
SCHEMBL22535381 0.88 NTRK1 (0.46) NTRK1JAK2JAK3P2RX3PAK1
SCHEMBL22535759 0.88 NTRK1 (0.40) NTRK1JAK2JAK3ALKPAK1
SCHEMBL22535438 0.87 NTRK1 (0.49) NTRK1JAK2JAK3ALKPAK1
SCHEMBL22535433 0.87 NTRK1 (0.53) NTRK1JAK2JAK3PAK1PAK3
SCHEMBL22535423 0.87 NTRK1 (0.53) NTRK1JAK2JAK3PAK1PAK3
SCHEMBL20575168 0.87 NTRK1 (0.53) NTRK1JAK2JAK3PAK1PAK3
SCHEMBL22535336 0.86 NTRK1 (0.47) NTRK1JAK2JAK3PAK1PAK3
SCHEMBL22535671 0.83 NTRK1 (0.49) NTRK1JAK2JAK3PAK1PAK4
SCHEMBL22535556 0.82 NTRK1 (0.43) NTRK1JAK2JAK3ALKPAK4

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 1/4885JAK2 833/4885JAK3 649/4885

“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.

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