SCHEMBL10124933

SCHEMBL10124933

FC(F)(F)Oc1ccccc1-c1ccnc2[nH]ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.54
CDK9 P50750 2/20 0.54
IGF1R P08069 2/20 0.54
DYRK1B Q9Y463 2/20 0.54
DYRK1A Q13627 2/20 0.54
IKBKB O14920 1/20 0.54
CHUK O15111 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
FGFR1 P11362 1/20 0.54
PRKACA P17612 1/20 0.54
FLT1 P17948 1/20 0.54
LTK P29376 1/20 0.54
GRK5 P34947 1/20 0.54
KDR P35968 1/20 0.54

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
SCHEMBL858602 0.81 BRD4 (0.62) AURKBCDK9IGF1RDYRK1BDYRK1A
SCHEMBL20846293 0.81 DYRK1A (0.61) CDK9DYRK1ADAPK3MAP4K4RET
SCHEMBL12348332 0.81 AURKB (0.54) AURKBCDK9IGF1RDYRK1BDYRK1A
SCHEMBL12605415 0.81 PRKCI (0.49) AURKBCDK9IGF1RDYRK1BDYRK1A
SCHEMBL13885390 0.80 JAK2 (0.52) CDK9IGF1RDYRK1BDYRK1AIKBKB
SCHEMBL859080 0.79 AURKB (0.55) AURKBCDK9IGF1RDYRK1BDYRK1A
SCHEMBL10125431 0.79 AURKB (0.59) AURKBCDK9IGF1RDYRK1BDYRK1A
SCHEMBL10124925 0.78 IGF1R (0.58) AURKBCDK9IGF1RDYRK1BDYRK1A
SCHEMBL10125438 0.78 AURKB (0.54) AURKBCDK9IGF1RDYRK1BDYRK1A
SCHEMBL1329701 0.77 DYRK1A (0.40) AURKBCDK9IGF1RDYRK1BDYRK1A

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 7 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
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 AURKB 296/4885CDK9 136/4885IGF1R 562/4885
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 AURKB 478/4885CDK9 241/4885IGF1R 3686/4885

“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.