SCHEMBL12089971

SCHEMBL12089971

CC(C)c1ccc(C(=O)NCCNc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 1/20 0.56
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.54
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC3 O15379 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
EPHX2 P34913 1/20 0.49
GAA P10253 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
SCHEMBL3050071 0.84 LMNA (0.62) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL12093592 0.83 LMNA (0.78) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL104773 0.81 RAB9A (0.84) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL14441177 0.80 HPGD (0.63) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL23254707 0.80 HPGD (0.63) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL9407545 0.79 HDAC4 (0.62) RAB9ANPC1LMNAPOLBHDAC4
SCHEMBL26078949 0.78 HPGD (0.61) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL104275 0.78 NPC1 (0.68) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL13813 0.78 HPGD (0.69) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL17132595 0.78 HPGD (0.65) RAB9ANPC1SMN1; SMN2HPGDLMNA

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-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
WO-2009155565-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 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 (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 RAB9A 1534/4885NPC1 3726/4885SMN1; SMN2 1522/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 RAB9A 1534/4885NPC1 3726/4885SMN1; SMN2 1522/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RAB9A 1534/4885NPC1 3726/4885SMN1; SMN2 1522/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 RAB9A 1441/4885NPC1 3307/4885SMN1; SMN2 1225/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RAB9A 1534/4885NPC1 3726/4885SMN1; SMN2 1522/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RAB9A 1534/4885NPC1 3726/4885SMN1; SMN2 1522/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RAB9A 1534/4885NPC1 3726/4885SMN1; SMN2 1522/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RAB9A 1534/4885NPC1 3726/4885SMN1; SMN2 1522/4885

“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.