SCHEMBL2569117

SCHEMBL2569117

CC(C)(C)c1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)c([N+](=O)[O-])cc2Cl)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.52
PIK3C3 Q8NEB9 1/20 0.41
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
GRK6 P43250 1/20 0.36
ADRB2 P07550 1/20 0.36
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
CDK2 P24941 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
SCHEMBL27856019 1.00 NTRK1 (0.52) NTRK1PIK3C3JAK3BTKGRK6
SCHEMBL2566973 0.89 NTRK1 (0.50) NTRK1PIK3C3JAK3
SCHEMBL2568430 0.85 NTRK1 (0.48) NTRK1PIK3C3JAK3CCNT1CDK9
SCHEMBL27872740 0.85 NTRK1 (0.56) NTRK1JAK3BTKGRK6CCNT1
SCHEMBL3136120 0.85 NTRK1 (0.56) NTRK1JAK3BTKGRK6CCNT1
SCHEMBL27856018 0.84 NTRK1 (0.68) NTRK1JAK3
SCHEMBL2564629 0.84 NTRK1 (0.68) NTRK1JAK3
SCHEMBL2570794 0.81 NTRK1 (0.66) NTRK1JAK3
SCHEMBL5029800 0.81 NTRK1 (0.66) NTRK1JAK3
SCHEMBL2565249 0.80 JAK3 (0.52) NTRK1JAK3CCNT1CDK9CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
CN-101155800-B Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB 2012-05-23 CN disclosed
EP-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 EP disclosed
EP-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed
US-20080108669-A1 Use 541 ASTRAZENECA AB (SE) 2008-05-08 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-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 NTRK1 3837/4885PIK3C3 1571/4885JAK3 2868/4885

“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.