Sugi Predict

Sugi Predict / Compounds / SCHEMBL104273

SCHEMBL104273

SCHEMBL104273

CC(C)c1ccc(C(=O)NC2CCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ NPC1 O15118 7/20 0.61
▸ RAB9A P51151 7/20 0.61
▸ HPGD P15428 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ TP53 P04637 1/20 0.57
▸ EPHX1 P07099 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ EPHX2 P34913 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ ACACB O00763 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 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
SCHEMBL104753 0.97 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL104429 0.95 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL3454998 0.95 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL25647119 0.95 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL105169 0.93 RAB9A (0.57) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL12591849 0.89 RAB9A (0.66) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL12089909 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL12089850 0.87 RAB9A (0.51) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL12089917 0.87 NPC1 (0.55) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL24263200 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHPGDCYP1A2

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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 — — 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 (10 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 SMN1; SMN2 4581/4885NPC1 1892/4885RAB9A 3030/4885
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SMN1; SMN2 1522/4885NPC1 3726/4885RAB9A 1534/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 SMN1; SMN2 1522/4885NPC1 3726/4885RAB9A 1534/4885
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS SMN1; SMN2 2291/4885NPC1 2146/4885RAB9A 2746/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SMN1; SMN2 1522/4885NPC1 3726/4885RAB9A 1534/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 SMN1; SMN2 1225/4885NPC1 3307/4885RAB9A 1441/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SMN1; SMN2 1522/4885NPC1 3726/4885RAB9A 1534/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SMN1; SMN2 1522/4885NPC1 3726/4885RAB9A 1534/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SMN1; SMN2 1522/4885NPC1 3726/4885RAB9A 1534/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SMN1; SMN2 1522/4885NPC1 3726/4885RAB9A 1534/4885

“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.