SCHEMBL404007

SCHEMBL404007

Cc1ccccc1-c1nocc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.42
BRD9 Q9H8M2 1/20 0.39
LCK P06239 2/20 0.39
SCN9A Q15858 1/20 0.37
IDO1 P14902 2/20 0.37
ELANE P08246 1/20 0.37
CTRB1 P17538 1/20 0.37
LPAR1 Q92633 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
METAP1 P53582 1/20 0.36
BRD4 O60885 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4414634 0.78 LMNA (0.48) BRD9LCKIDO1RXFP1METAP1
SCHEMBL10191567 0.78 CSF1R (0.43) TDP2BRD9LCKIDO1ELANE
SCHEMBL15775779 0.77 LPAR1 (0.41) BRD9SCN9ALPAR1
SCHEMBL16814041 0.77 BRD9 (0.38) BRD9LCKELANECTRB1CA12
SCHEMBL15301736 0.77 IDO1 (0.40) TDP2BRD9LCKIDO1ELANE
SCHEMBL6016343 0.75 NTRK1 (0.51) TDP2LCKIDO1RXFP1LMNA
SCHEMBL16474232 0.75 MTNR1A (0.40) BRD4
SCHEMBL1534089 0.75 NPC1 (0.58) BRD9RXFP1LMNAPOLB
SCHEMBL15776043 0.74 LPAR1 (0.46) LCKSCN9ALPAR1
SCHEMBL15775795 0.74 LPAR1 (0.40) BRD9SCN9ALPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
EP-2348860-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2011-08-03 EP disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP2 1709/4885BRD9 721/4885LCK 27/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP2 1709/4885BRD9 721/4885LCK 27/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP2 1709/4885BRD9 721/4885LCK 27/4885

“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.