SCHEMBL406528

SCHEMBL406528

C#Cc1[c]cccc1-c1c(C)cccc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
ELANE P08246 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
EGFR P00533 1/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 3/20 0.33
USP2 O75604 1/20 0.33
DUSP3 P51452 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3221282 0.78 CA1 (0.41) ALDH1A1MAPTLMNAHTTCA1
SCHEMBL12104260 0.72 TOP1 (0.48) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL456144 0.72
SCHEMBL406529 0.70 HSP90AA1 (0.34) TOP1MAPTLMNAMEN1KMT2A
SCHEMBL548076 0.70 CA1 (0.52) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL13685138 0.68 FGFR1 (0.46) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL5451198 0.68 ALDH1A1 (0.55) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL14450999 0.68 CA1 (0.50) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL19608998 0.68 CA1 (0.50) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL22227385 0.68 GABRA1 (0.42) TOP1ALDH1A1MAPTAPAF1MITF

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 TOP1 3194/4885ALDH1A1 1236/4885MAPT 4201/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TOP1 3194/4885ALDH1A1 1236/4885MAPT 4201/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TOP1 3194/4885ALDH1A1 1236/4885MAPT 4201/4885

“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.