SCHEMBL22535331

SCHEMBL22535331

C[C@H](Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.69
JAK2 O60674 2/20 0.59
JAK3 P52333 1/20 0.59
IGF1R P08069 3/20 0.52
ADRA1D P25100 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL22535379 0.93 NTRK1 (0.61) NTRK1JAK2JAK3IGF1RADRA1D
SCHEMBL22535847 0.91 NTRK1 (0.70) NTRK1JAK2JAK3IGF1R
SCHEMBL22535694 0.91 NTRK1 (0.70) NTRK1JAK2JAK3IGF1R
SCHEMBL22535613 0.91 NTRK1 (0.56) NTRK1JAK2JAK3IGF1R
SCHEMBL22535330 0.90 NTRK1 (0.57) NTRK1JAK2JAK3IGF1R
SCHEMBL22535356 0.90 NTRK1 (0.56) NTRK1JAK2JAK3IGF1R
SCHEMBL22535724 0.88 NTRK1 (0.67) NTRK1JAK2JAK3IGF1R
SCHEMBL22535533 0.87 NTRK1 (0.54) NTRK1JAK2JAK3IGF1R
SCHEMBL22535532 0.87 NTRK1 (0.54) NTRK1JAK2JAK3IGF1R
SCHEMBL22535688 0.87 NTRK1 (0.76) NTRK1JAK2JAK3IGF1R

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.