SCHEMBL3136120

SCHEMBL3136120

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.56
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
GRK6 P43250 3/20 0.38
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL27872740 1.00 NTRK1 (0.56) NTRK1JAK3BTKGRK6CCNT1
SCHEMBL2568019 0.88 NTRK1 (0.54) NTRK1JAK3CCNT1CDK9CDK2
SCHEMBL2569117 0.85 NTRK1 (0.52) NTRK1JAK3BTKGRK6CCNT1
SCHEMBL27856019 0.85 NTRK1 (0.52) NTRK1JAK3BTKGRK6CCNT1
SCHEMBL2568696 0.84 NTRK1 (0.52) NTRK1JAK3CCNT1CDK9CDK2
SCHEMBL27872721 0.83 NTRK1 (0.73) NTRK1JAK3
SCHEMBL2569980 0.83 NTRK1 (0.73) NTRK1JAK3
SCHEMBL2566970 0.79 NTRK1 (0.71) NTRK1JAK3
SCHEMBL27856020 0.79 NTRK1 (0.71) NTRK1JAK3
SCHEMBL3129783 0.74 NTRK1 (0.53) NTRK1JAK3GRK6

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 4 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-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 3837/4885JAK3 2868/4885BTK 1319/4885

“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.