SCHEMBL178492

SCHEMBL178492

Cc1ccc(C(=O)NC2CCC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.90
RAB9A P51151 7/20 0.90
HPGD P15428 3/20 0.90
SMN1; SMN2 Q16637 3/20 0.90
CYP1A2 P05177 1/20 0.90
CYP2C19 P33261 1/20 0.90
USP2 O75604 1/20 0.66
LMNA P02545 1/20 0.60
OPRK1 P41145 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.54
EPHX1 P07099 1/20 0.54

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
SCHEMBL12460021 0.96 RAB9A (0.96) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL178426 0.95 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL3455803 0.95 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL8362540 0.92 RAB9A (0.83) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL241843 0.92 RAB9A (0.83) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL5614019 0.91 RAB9A (0.80) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL23573583 0.87 RAB9A (0.75) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL23573584 0.87 RAB9A (0.75) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL20206256 0.87 RAB9A (0.69) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL12771544 0.87 RAB9A (0.74) NPC1RAB9AHPGDSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 EP claimed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO claimed
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-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
WO-2009155551-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 WO disclosed
CN-101128434-A Amide derivatives ASTRAZENECA AB (SE) 2008-02-20 CN 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 NPC1 1892/4885RAB9A 3030/4885HPGD 4110/4885
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 3726/4885RAB9A 1534/4885HPGD 2150/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 NPC1 3726/4885RAB9A 1534/4885HPGD 2150/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 3726/4885RAB9A 1534/4885HPGD 2150/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 NPC1 3307/4885RAB9A 1441/4885HPGD 2955/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 3726/4885RAB9A 1534/4885HPGD 2150/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 3726/4885RAB9A 1534/4885HPGD 2150/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 3726/4885RAB9A 1534/4885HPGD 2150/4885

“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.