SCHEMBL8942477

SCHEMBL8942477

O=C(Nc1cccc(-c2c[nH]c3ncc(Cl)cc23)n1)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
BTK Q06187 3/20 0.48
ITK Q08881 3/20 0.48
MAP4K4 O95819 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
PRKD3 O94806 1/20 0.48
EGFR P00533 1/20 0.48
NTRK1 P04629 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
AXL P30530 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48
FRK P42685 1/20 0.48
CLK2 P49760 1/20 0.48
MAP4K2 Q12851 1/20 0.48
CAMK2B Q13554 1/20 0.48

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
SCHEMBL8941849 0.93 AXL (0.57) GRM5BTKITKMAP4K4CLK4
SCHEMBL8942516 0.89 SMN1; SMN2 (0.52) GRM5BTKITKMAP4K4CLK4
SCHEMBL8942566 0.85 CNR2 (0.52) GRM5BTKITKMAP4K4CLK4
SCHEMBL8942466 0.85 BTK (0.52) BTKITKMAP4K4CLK4PRKD3
SCHEMBL8942207 0.84 BTK (0.50) GRM5NPC1RAB9ABTKITK
SCHEMBL12657781 0.84 GRM5 (0.56) GRM5NPC1RAB9ABTKITK
SCHEMBL8940649 0.83 BTK (0.50) BTKITKMAP4K4CLK4PRKD3
SCHEMBL8942341 0.82 BTK (0.49) GRM5BTKITKMAP4K4CLK4
SCHEMBL8942561 0.80 BTK (0.47) NPC1RAB9ABTKITKJAK2
SCHEMBL8942335 0.80 ROCK1 (0.55) BTKITKMAP4K4CLK4PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 US disclosed
US-8501446-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 US disclosed
US-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 US disclosed
US-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 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 (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-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 GRM5 2623/4885NPC1 3288/4885RAB9A 1944/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 GRM5 2623/4885NPC1 3288/4885RAB9A 1944/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 GRM5 2623/4885NPC1 3288/4885RAB9A 1944/4885

“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.