SCHEMBL4903525

SCHEMBL4903525

C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 1.00
JAK2 O60674 5/20 0.78
JAK3 P52333 4/20 0.64
IGF1R P08069 5/20 0.58

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
SCHEMBL3036550 0.91 NTRK1 (0.83) NTRK1JAK2JAK3IGF1R
SCHEMBL3039039 0.91 NTRK1 (1.00) NTRK1JAK2JAK3IGF1R
SCHEMBL3028856 0.91 NTRK1 (1.00) NTRK1JAK2JAK3IGF1R
SCHEMBL217071 0.87 JAK2 (1.00) NTRK1JAK2JAK3IGF1R
SCHEMBL22535809 0.87 NTRK1 (0.76) NTRK1JAK2JAK3IGF1R
SCHEMBL22535280 0.85 NTRK1 (0.73) NTRK1JAK2JAK3
SCHEMBL15071069 0.84 PAK1 (0.73) NTRK1JAK2IGF1R
SCHEMBL15071070 0.84 PAK1 (0.73) NTRK1JAK2IGF1R
SCHEMBL22535310 0.84 NTRK1 (0.72) NTRK1JAK2JAK3
SCHEMBL2485537 0.84 JAK3 (0.77) NTRK1JAK2JAK3

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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 NTRK1 574/4885JAK2 32/4885JAK3 73/4885

“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.