SCHEMBL3230837

SCHEMBL3230837

CN(C)CCNC(=O)c1ccc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.59
JAK2 O60674 12/20 0.58
CDC7 O00311 1/20 0.53
CDK19 Q9BWU1 1/20 0.53
CCNT1 O60563 3/20 0.51
CDK2 P24941 3/20 0.51
CDK9 P50750 3/20 0.51
CCNA2 P20248 2/20 0.51
JAK3 P52333 5/20 0.48
PTK2 Q05397 4/20 0.48
CCNA1 P78396 1/20 0.47
CCNE1 P24864 1/20 0.47
SRC P12931 1/20 0.46

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
SCHEMBL3213399 0.91 JAK1 (0.64) JAK1JAK2JAK3PTK2SRC
SCHEMBL15459848 0.90 JAK1 (0.57) JAK1JAK2JAK3PTK2SRC
SCHEMBL3231385 0.90 JAK1 (0.59) JAK1JAK2JAK3PTK2SRC
SCHEMBL3226075 0.89 JAK2 (0.59) JAK1JAK2JAK3PTK2
SCHEMBL3213451 0.89 JAK1 (0.56) JAK1JAK2JAK3PTK2
SCHEMBL3230871 0.88 JAK2 (0.60) JAK1JAK2CCNT1CDK2CDK9
SCHEMBL3222056 0.87 JAK2 (0.57) JAK1JAK2JAK3PTK2
SCHEMBL3226189 0.86 JAK1 (0.66) JAK1JAK2JAK3PTK2
SCHEMBL3232813 0.86 JAK2 (0.60) JAK2JAK3PTK2
SCHEMBL3230509 0.85 JAK2 (0.49) JAK1JAK2JAK3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434732-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2016-09-06 US claimed
US-8609687-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2013-12-17 US claimed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
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-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-8609687-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2013-12-17 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 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-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
WO-2009155551-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 (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-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885CDC7 459/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885CDC7 821/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885CDC7 459/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885CDC7 459/4885

“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.