SCHEMBL671170

SCHEMBL671170

O=C1COCCN1c1cccc(CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
PIK3CD O00329 5/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CG P48736 3/20 0.46
PIK3CB P42338 1/20 0.46
MAP4K1 Q92918 5/20 0.45
PTGS2 P35354 4/20 0.42
NTRK1 P04629 1/20 0.40
AGXT P21549 1/20 0.40

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
SCHEMBL670900 0.86 MAP4K1 (0.50) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL7895104 0.86 MAP4K1 (0.53) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL8230773 0.86 F10 (0.49) F10PIK3CDPIK3CAPIK3CGPIK3CB
Hydrochloric Acid SCHEMBL3984316 0.84 F10 (0.48) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL20502398 0.81 ALDH1A1 (0.48) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL4018668 0.79 HTR1A (0.46)
SCHEMBL29740650 0.79 PIK3CD (0.49) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL20124865 0.79 PIK3CD (0.49) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL1662827 0.79 NTRK1 (0.40) F10PIK3CDPIK3CAPIK3CGMAP4K1
SCHEMBL2940366 0.78 MAP4K1 (0.50) F10PIK3CDPIK3CAPIK3CGPIK3CB

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 8 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
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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 F10 489/4885PIK3CD 385/4885PIK3CA 206/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 F10 546/4885PIK3CD 369/4885PIK3CA 210/4885

“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.