SCHEMBL672272

SCHEMBL672272

O=C1COCCN1c1cc(F)cc(CBr)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.35
F10 P00742 7/20 0.34
PER2 O15055 2/20 0.33
CRY2 Q49AN0 1/20 0.33
NTRK1 P04629 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PIK3CD O00329 2/20 0.32
MAP4K1 Q92918 1/20 0.31
P2RX7 Q99572 1/20 0.31
PTGS2 P35354 2/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL672446 0.86 PER2 (0.36) HTR1AF10PER2CRY2NTRK1
SCHEMBL671662 0.78 F10 (0.36) HTR1AF10PER2CRY2LRRK2
SCHEMBL1662827 0.77 NTRK1 (0.40) HTR1AF10PER2CRY2NTRK1
SCHEMBL671166 0.73 F10 (0.38) F10PIK3CDMAP4K1PTGS2
SCHEMBL14676525 0.72 NTRK1 (0.34) F10NTRK1LRRK2PIK3CDMAP4K1
SCHEMBL1663139 0.71 LRRK2 (0.38) F10LRRK2PIK3CDMAP4K1PIK3CA
SCHEMBL670523 0.70 MAP4K1 (0.36) F10PER2CRY2LRRK2PIK3CD
SCHEMBL21805800 0.68 PIK3CD (0.38) F10NTRK1PIK3CDMAP4K1PTGS2
SCHEMBL3346992 0.68 LRRK2 (0.43) HTR1AF10PER2LRRK2P2RX7
SCHEMBL21805487 0.66 PIK3CD (0.40) F10NTRK1PIK3CDMAP4K1PTGS2

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 9 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
WO-2013017479-A1 PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-02-07 WO 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 HTR1A 2371/4885F10 489/4885PER2 2339/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 HTR1A 2210/4885F10 546/4885PER2 2808/4885

“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.