SCHEMBL406529

SCHEMBL406529

C#Cc1[c]ccc(-c2c(C)cccc2OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.34
AR P10275 2/20 0.34
SYK P43405 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
DHFR P00374 1/20 0.33
TOP1 P11387 1/20 0.33
HSP90AB1 P08238 2/20 0.32
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL11282919 0.71 KDM4E (0.51) SYKRAB9ANPC1CA1CA2
SCHEMBL406528 0.70 TOP1 (0.36) HSP90AA1HTR7TOP1MAPTRAB9A
SCHEMBL548076 0.69 CA1 (0.52) HSP90AA1SYKTOP1HSP90AB1MAPT
SCHEMBL9446206 0.68 SYK (0.50) SYKHTR1AHTR7TOP1MAPT
SCHEMBL14450999 0.67 CA1 (0.50) HSP90AA1SYKTOP1HSP90AB1MAPT
SCHEMBL19608998 0.67 CA1 (0.50) HSP90AA1SYKTOP1HSP90AB1MAPT
SCHEMBL3225578 0.67 CA1 (0.34) MAPTRAB9ANPC1CA1CA2
SCHEMBL23956530 0.65 DYRK1A (0.54) HSP90AA1SYKHSP90AB1MEN1KMT2A
SCHEMBL19532154 0.65 BACE1 (0.41) HSP90AA1ARSYKHTR1AHTR7
SCHEMBL455469 0.64

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-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-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 HSP90AA1 3045/4885AR 909/4885SYK 26/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HSP90AA1 3045/4885AR 909/4885SYK 26/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HSP90AA1 3045/4885AR 909/4885SYK 26/4885

“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.