SCHEMBL2772081

SCHEMBL2772081

O=C(O)NC(=S)Nc1ncccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.50
NPC1 O15118 8/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.49
KCNH2 Q12809 1/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL22908698 0.84 ALDH1A1 (0.53) RAB9ANPC1KDM4EMAPTKCNH2
SCHEMBL15104669 0.83 RAB9A (0.46) RAB9ANPC1KDM4EMAPTEGFR
SCHEMBL1691036 0.82 MAPT (0.51) RAB9ANPC1KDM4EMAPTEGFR
SCHEMBL30587541 0.82 MAPT (0.51) RAB9ANPC1KDM4EMAPTEGFR
SCHEMBL7158819 0.78 L3MBTL1 (0.64) RAB9ANPC1KDM4EMAPTEGFR
SCHEMBL28534580 0.76 EGFR (0.41) RAB9ANPC1KDM4EMAPTKCNH2
SCHEMBL374899 0.75 KMT2A (0.46) RAB9ANPC1KDM4EEGFRERBB2
SCHEMBL6902503 0.75 MAPT (0.42) RAB9ANPC1KDM4EMAPTEGFR
SCHEMBL841777 0.74 RAB9A (0.59) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL4315844 0.73 MAPT (0.42) RAB9ANPC1KDM4EMAPTKCNH2

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 8 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-9434732-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2016-09-06 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 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 (4 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-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 RAB9A 1441/4885NPC1 3307/4885KDM4E 2527/4885
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 RAB9A 2804/4885NPC1 3042/4885KDM4E 1621/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 RAB9A 2804/4885NPC1 3042/4885KDM4E 1621/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RAB9A 1534/4885NPC1 3726/4885KDM4E 2916/4885

“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.