SCHEMBL10125124

SCHEMBL10125124

Cc1ccc(C)c(-c2ccnc3[nH]ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.51
IGF1R P08069 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
ROCK1 Q13464 2/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
DAPK3 O43293 1/20 0.51
JAK2 O60674 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
FGFR1 P11362 1/20 0.51
PRKACA P17612 1/20 0.51
FLT1 P17948 1/20 0.51
LTK P29376 1/20 0.51
GRK5 P34947 1/20 0.51
KDR P35968 1/20 0.51
MAP2K2 P36507 1/20 0.51

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
SCHEMBL3576055 0.88 CIT (0.53) AURKBIGF1RDYRK1BROCK1IKBKB
SCHEMBL13765639 0.81 CIT (0.47) AURKBIGF1RDYRK1BROCK1IKBKB
SCHEMBL2240671 0.81 AURKB (0.71) AURKBIGF1RDYRK1BROCK1IKBKB
SCHEMBL10080580 0.81 AURKB (0.63) AURKBIGF1RDYRK1BROCK1IKBKB
SCHEMBL12127530 0.79 NUDT1 (0.65) AURKBIGF1RDYRK1BROCK1IKBKB
SCHEMBL14494236 0.79 NUDT1 (0.54) AURKBIGF1RDYRK1BROCK1IKBKB
SCHEMBL3576733 0.79 CCNK (0.47) AURKBIGF1RDYRK1BROCK1IKBKB
SCHEMBL4790144 0.79 IKBKB (0.70) AURKBIGF1RDYRK1BROCK1IKBKB
SCHEMBL12127232 0.78 NUDT1 (0.47) AURKBIGF1RDYRK1BROCK1IKBKB
SCHEMBL1717710 0.78 PRKCI (0.61) AURKBIGF1RDYRK1BROCK1IKBKB

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
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
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 (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 AURKB 478/4885IGF1R 3686/4885DYRK1B 590/4885

“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.