SCHEMBL2601264

SCHEMBL2601264

CC(=O)Nc1ccccc1-c1ncnc2[nH]ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.68
JAK2 O60674 2/20 0.68
DAPK3 O43293 1/20 0.68
PRKD3 O94806 1/20 0.68
MAP4K4 O95819 1/20 0.68
PAK4 O96013 1/20 0.68
ABL1 P00519 1/20 0.68
CSF1R P07333 1/20 0.68
RET P07949 1/20 0.68
MET P08581 1/20 0.68
PDGFRB P09619 1/20 0.68
PIM1 P11309 1/20 0.68
FGFR1 P11362 1/20 0.68
PDGFRA P16234 1/20 0.68
PRKACA P17612 1/20 0.68
FLT1 P17948 1/20 0.68
LTK P29376 1/20 0.68
GRK5 P34947 1/20 0.68
KDR P35968 1/20 0.68
CSNK1A1 P48729 1/20 0.68

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
SCHEMBL2098077 0.80 NUDT1 (0.60) JAK3JAK2DAPK3PRKD3MAP4K4
SCHEMBL29665034 0.77 JAK2 (0.78) JAK3JAK2DAPK3PRKD3MAP4K4
SCHEMBL2601272 0.76 CCNK (0.47) JAK3JAK2DAPK3PRKD3MAP4K4
SCHEMBL13885299 0.76 JAK2 (0.63) JAK3JAK2DAPK3PRKD3MAP4K4
SCHEMBL2601265 0.74 JAK2 (0.63) JAK3JAK2DAPK3PRKD3MAP4K4
SCHEMBL12471811 0.74 ALDH1A1 (0.48) JAK3JAK2DAPK3PRKD3MAP4K4
SCHEMBL13885309 0.73 JAK2 (0.61) JAK3JAK2DAPK3PRKD3MAP4K4
SCHEMBL13885395 0.73 JAK2 (0.61) JAK3JAK2DAPK3PRKD3MAP4K4
SCHEMBL14646782 0.72 BTK (0.61) PDGFRBKDRBTK
SCHEMBL28212089 0.72 JAK2 (0.59) JAK3JAK2DAPK3PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-24 US disclosed
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-24 US disclosed
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-24 US disclosed
US-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-2079740-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMA (US) 2012-12-05 EP disclosed
EP-2079740-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMA (US) 2012-12-05 EP disclosed
US-8163732-B2 Tricyclic heteroaryl compounds useful as inhibitors of Janus kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163732-B2 Tricyclic heteroaryl compounds useful as inhibitors of Janus kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20100081645-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 US disclosed
US-20100081645-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 US disclosed
CN-101568540-A Tricyclic heteroaryl compounds useful as JANUS kinase inhibitors VERTEX PHARMA (US) 2009-10-28 CN disclosed
WO-2008079521-A2 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-07-03 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 (3 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-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885DAPK3 203/4885
US-20100081645-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885DAPK3 203/4885
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885DAPK3 203/4885

“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.