SCHEMBL1719342

SCHEMBL1719342

C[C@H](Nc1ccnc(Cl)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
TBK1 Q9UHD2 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
GRM5 P41594 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 2/20 0.34
AAK1 Q2M2I8 2/20 0.34
JAK3 P52333 2/20 0.34
ADORA2A P29274 1/20 0.34
PLK4 O00444 1/20 0.34
ROCK2 O75116 1/20 0.34
STK10 O94804 1/20 0.34
ABL1 P00519 1/20 0.34
PRKCB P05771 1/20 0.34
MET P08581 1/20 0.34
TOP2A P11388 1/20 0.34
PRKCA P17252 1/20 0.34
CSNK2A2 P19784 1/20 0.34

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
SCHEMBL1719347 1.00 LOXL2 (0.39) LOXL2TBK1KDM4EGAAGRM5
SCHEMBL5635889 0.81 ATF1 (0.39) TBK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL5078770 0.81 ATF1 (0.39) TBK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL14853836 0.80 TBK1 (0.37) TBK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL5136694 0.79 TBK1 (0.36) TBK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL5137510 0.79 TBK1 (0.36) TBK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL5136692 0.79 TBK1 (0.36) TBK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL5075207 0.77 ADORA1 (0.43) TBK1KDM4EALDH1A1SMN1; SMN2ADORA2A
SCHEMBL14238612 0.77 ADORA1 (0.43) TBK1KDM4EALDH1A1SMN1; SMN2ADORA2A
SCHEMBL14555163 0.77 KDM4C (0.46) GRM5

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-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-1881983-A1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE Vertex Pharmaceuticals, Inc. (US) 2008-01-30 EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
WO-2006127587-A1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 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 (1 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-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 LOXL2 2157/4885TBK1 136/4885KDM4E 1453/4885

“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.