SCHEMBL279957

SCHEMBL279957

Cc1ccc(C(=O)NCC2CCCO2)cc1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.86
MEN1 O00255 1/20 0.86
SMN1; SMN2 Q16637 8/20 0.77
NPC1 O15118 3/20 0.77
RAB9A P51151 3/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
GAA P10253 1/20 0.74
HPGD P15428 10/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
LMNA P02545 1/20 0.73
POLB P06746 1/20 0.73
MAPT P10636 1/20 0.73
TSHR P16473 2/20 0.69
ALDH1A1 P00352 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TAAR1 Q96RJ0 1/20 0.65

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
SCHEMBL11918653 1.00 KMT2A (0.86) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL24230211 0.92 KMT2A (0.73) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6570578 0.87 KMT2A (0.88) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL8404658 0.86 KMT2A (0.81) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3408099 0.86 KMT2A (0.81) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL763451 0.86 KMT2A (0.86) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11818229 0.86 HPGD (0.76) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL30678539 0.85 HPGD (1.00) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL743611 0.85 HPGD (1.00) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL29687327 0.85 HPGD (1.00) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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 26 patents — showing the first 20. 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
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP 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-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 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-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
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
WO-2008127714-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
EP-1873154-A1 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVE OR MEDICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2008-01-02 EP disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
WO-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 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 (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-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1888/4885MEN1 3155/4885SMN1; SMN2 1522/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1888/4885MEN1 3155/4885SMN1; SMN2 1522/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 KMT2A 1937/4885MEN1 3266/4885SMN1; SMN2 1225/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1888/4885MEN1 3155/4885SMN1; SMN2 1522/4885
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL KMT2A 3398/4885MEN1 605/4885SMN1; SMN2 1437/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1888/4885MEN1 3155/4885SMN1; SMN2 1522/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1888/4885MEN1 3155/4885SMN1; SMN2 1522/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF KMT2A 3947/4885MEN1 4693/4885SMN1; SMN2 4645/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1888/4885MEN1 3155/4885SMN1; 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.