Sugi Predict

Sugi Predict / Compounds / SCHEMBL5485003

SCHEMBL5485003

SCHEMBL5485003

Cc1cc(Nc2nc(Cc3ccccc3)cc(Nc3ccc4cn[nH]c4c3)n2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 10/20 0.55
▸ PLK4 O00444 9/20 0.55
▸ AURKA O14965 4/20 0.50
▸ IGF1R P08069 4/20 0.50
▸ AURKB Q96GD4 3/20 0.50
▸ DAPK3 O43293 2/20 0.50
▸ JAK2 O60674 2/20 0.50
▸ LCK P06239 2/20 0.50
▸ CSF1R P07333 2/20 0.50
▸ RET P07949 2/20 0.50
▸ FGFR1 P11362 2/20 0.50
▸ FLT1 P17948 2/20 0.50
▸ KDR P35968 2/20 0.50
▸ FLT3 P36888 2/20 0.50
▸ MAPK8 P45983 2/20 0.50
▸ MAPK9 P45984 2/20 0.50
▸ CDK9 P50750 2/20 0.50
▸ JAK3 P52333 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ PRKAA1 Q13131 2/20 0.50

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
SCHEMBL5476838 0.86 AURKA (0.54) PAK4PLK4AURKAIGF1RAURKB
SCHEMBL31061096 0.86 AURKA (0.54) PAK4PLK4AURKAIGF1RAURKB
SCHEMBL13636054 0.77 EIF2AK2 (0.51) PAK4PLK4IGF1RKDRMAPK1
SCHEMBL13601862 0.76 GSK3B (0.56) PAK4PLK4AURKAIGF1RAURKB
SCHEMBL12430658 0.75 AURKA (0.72) PAK4PLK4AURKAAURKBGSK3B
SCHEMBL13663576 0.74 EIF2AK2 (0.55) PAK4PLK4IGF1RJAK2JAK3
SCHEMBL12431088 0.74 EIF2AK2 (0.51) PAK4PLK4AURKAIGF1RAURKB
SCHEMBL21983770 0.70 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL24350210 0.70 PAK4 (0.80) PAK4PLK4AURKAIGF1RAURKB
SCHEMBL13636069 0.70 EIF2AK2 (0.46) PAK4PLK4AURKAIGF1RAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345928-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-02-14 — — EP claimed
US-20040167141-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 — — US claimed
JP-2004516292-A — — 2004-06-03 — — JP claimed
EP-1345928-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-24 — — EP claimed
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-30 — — US claimed
WO-2002050066-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 — — WO claimed
US-20140187772-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-07-03 — — US disclosed
US-20140187772-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-07-03 — — US disclosed
US-20130096128-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 — — US disclosed
US-20130096128-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 — — US disclosed
US-8304414-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-06 — — US disclosed
US-8304414-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-06 — — US disclosed
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US disclosed
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US disclosed
US-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 — — US disclosed
US-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 — — 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 (5 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-20040167141-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PAK4 661/4885PLK4 106/4885AURKA 2/4885
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PAK4 661/4885PLK4 106/4885AURKA 2/4885
US-20130096128-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 PAK4 496/4885PLK4 120/4885AURKA 2/4885
US-20140187772-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 PAK4 496/4885PLK4 120/4885AURKA 2/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 PAK4 496/4885PLK4 120/4885AURKA 2/4885

“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.