SCHEMBL673330

SCHEMBL673330

O=C1COCCN1c1cc(F)cc(Cn2ncc3cnc(Cl)nc32)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.42
PTGS2 P35354 11/20 0.37
PIK3CD O00329 2/20 0.37
MAP4K1 Q92918 4/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
F10 P00742 1/20 0.34
STAT6 P42226 1/20 0.33

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
SCHEMBL671496 0.81 NTRK1 (0.45) NTRK1PTGS2MAP4K1STAT6
SCHEMBL1665276 0.81 NTRK1 (0.45) NTRK1PTGS2STAT6
SCHEMBL27869416 0.79 STAT6 (0.32) STAT6
SCHEMBL673304 0.78 NTRK1 (0.43) NTRK1STAT6
SCHEMBL673033 0.77 NTRK1 (0.41) NTRK1STAT6
SCHEMBL671528 0.77 PIK3CD (0.42) NTRK1PIK3CDSTAT6
SCHEMBL673270 0.77 NTRK1 (0.41) NTRK1STAT6
SCHEMBL670858 0.77 STAT6 (0.43) NTRK1STAT6
SCHEMBL15122368 0.74 NTRK1 (0.40) NTRK1PTGS2STAT6
SCHEMBL14675914 0.74 NTRK1 (0.39) NTRK1PTGS2PIK3CDMAP4K1STAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO 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 (2 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 NTRK1 4772/4885PTGS2 641/4885PIK3CD 385/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 NTRK1 4682/4885PTGS2 609/4885PIK3CD 369/4885

“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.