SCHEMBL104788

SCHEMBL104788

CC(C)c1ccc(C(=O)NCC2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.56
EPHX1 P07099 1/20 0.56
EPHX2 P34913 1/20 0.56
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.54
ACACB O00763 1/20 0.53
HPGD P15428 1/20 0.52
HDAC6 Q9UBN7 2/20 0.51
MLYCD O95822 1/20 0.51
MMP13 P45452 1/20 0.51
NPC1 O15118 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL12090019 0.92 EPHX1 (0.67) MAPK14EPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL25064142 0.90 HDAC6 (0.49) MAPK14EPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL25064145 0.90 HDAC6 (0.49) MAPK14EPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL12089859 0.90 SMYD3 (0.53) MAPK14EPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL25442206 0.90 NAMPT (0.53) MAPK14EPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL12090016 0.89 NAMPT (0.58) EPHX1EPHX2RAB9ASMN1; SMN2MEN1
SCHEMBL12017927 0.84 LMNA (0.58) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21078070 0.82 CHEK2 (0.50) EPHX1EPHX2RAB9ASMN1; SMN2MEN1
SCHEMBL12156536 0.81 CA2 (0.57) MAPK14MEN1KMT2AHDAC6MLYCD
SCHEMBL178383 0.81 MMP13 (0.71) MAPK14LMNAHDAC6MLYCDMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US 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 (9 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 MAPK14 1421/4885EPHX1 4407/4885EPHX2 4454/4885
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK14 275/4885EPHX1 3546/4885EPHX2 3263/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 MAPK14 275/4885EPHX1 3546/4885EPHX2 3263/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK14 275/4885EPHX1 3546/4885EPHX2 3263/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 MAPK14 270/4885EPHX1 3223/4885EPHX2 3368/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK14 275/4885EPHX1 3546/4885EPHX2 3263/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK14 275/4885EPHX1 3546/4885EPHX2 3263/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK14 275/4885EPHX1 3546/4885EPHX2 3263/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK14 275/4885EPHX1 3546/4885EPHX2 3263/4885

“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.