SCHEMBL12090046

SCHEMBL12090046

CC(C)c1ccc(C(=O)NCN2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
ALDH1A1 P00352 4/20 0.57
CD274 Q9NZQ7 4/20 0.54
HTR1A P08908 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
KCNH2 Q12809 1/20 0.54
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL178529 0.86 CD274 (0.74) LMNAALDH1A1CD274HTR1AMAOA
SCHEMBL12089972 0.84 LMNA (0.83) LMNAALDH1A1CD274HTR1AMAOA
SCHEMBL14864329 0.84 ALDH1A1 (0.74) LMNAALDH1A1CD274HTR1AMAOA
SCHEMBL13492542 0.84 KMT2A (0.71) LMNAALDH1A1CD274HTR1AMAOA
SCHEMBL2228237 0.81 ALDH1A1 (0.66) ALDH1A1CD274HTR1AMAOAMAOB
SCHEMBL19226520 0.79 NAMPT (0.59) LMNAALDH1A1CD274HTR1AMAOA
SCHEMBL14441141 0.78 SMN1; SMN2 (0.70) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL12919996 0.78 TP53 (0.53) LMNAALDH1A1KMT2AMEN1CYP3A4
SCHEMBL14384878 0.76 ALDH1A1 (0.72) LMNAALDH1A1KMT2AMEN1NPC1
SCHEMBL18713514 0.76 CD274 (0.65) ALDH1A1CD274HTR1AMAOAMAOB

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-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-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-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
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 (8 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-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885CD274 586/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885CD274 586/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885CD274 586/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 LMNA 4670/4885ALDH1A1 2328/4885CD274 896/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885CD274 586/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885CD274 586/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885CD274 586/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4580/4885ALDH1A1 2375/4885CD274 586/4885

“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.