SCHEMBL1662827

SCHEMBL1662827

O=C1COCCN1c1cc(F)cc(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
F10 P00742 5/20 0.40
MAP4K1 Q92918 3/20 0.38
HTR1A P08908 2/20 0.37
BACE1 P56817 1/20 0.37
PTGS2 P35354 5/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
PER2 O15055 1/20 0.34
CRY2 Q49AN0 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
SCHEMBL671604 0.86 BACE1 (0.41) NTRK1F10MAP4K1HTR1ABACE1
SCHEMBL671170 0.79 F10 (0.47) NTRK1F10MAP4K1PTGS2PIK3CD
SCHEMBL672272 0.77 HTR1A (0.35) NTRK1F10MAP4K1HTR1APTGS2
SCHEMBL672007 0.76 GPR183 (0.43) NTRK1PIK3CA
SCHEMBL2940366 0.74 MAP4K1 (0.50) NTRK1F10MAP4K1PTGS2PIK3CD
SCHEMBL18099235 0.73 F10 (0.43) NTRK1F10MAP4K1PTGS2PIK3CD
SCHEMBL18630668 0.72 F10 (0.54) F10HTR1APTGS2
SCHEMBL673330 0.71 NTRK1 (0.42) NTRK1F10MAP4K1PTGS2PIK3CD
SCHEMBL848455 0.69 F10 (0.44) F10PTGS2
SCHEMBL18099303 0.69 MEN1 (0.37) F10MAP4K1PTGS2PIK3CDPIK3CA

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
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-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 NTRK1 4772/4885F10 489/4885MAP4K1 246/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 NTRK1 4682/4885F10 546/4885MAP4K1 177/4885

“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.