SCHEMBL5069223

SCHEMBL5069223

Cc1cc(Nc2nncc(N)c2-c2ccc3cn[nH]c3c2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 11/20 0.43
▸ PAK4 O96013 9/20 0.43
▸ FGFR1 P11362 3/20 0.39
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ USP7 Q93009 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL5068873 0.75 PIK3CD (0.41) PLK4PAK4FGFR1MEN1HTT
SCHEMBL4167995 0.74 TGFBR1 (0.43) PLK4PAK4FGFR1AURKBMEN1
SCHEMBL13636069 0.71 EIF2AK2 (0.46) PLK4PAK4AURKAAURKBMEN1
SCHEMBL13636054 0.70 EIF2AK2 (0.51) PLK4PAK4MEN1HTTKMT2A
SCHEMBL13663576 0.67 EIF2AK2 (0.55) PLK4PAK4MEN1HTTKMT2A
SCHEMBL5071850 0.67 GRM4 (0.43) AURKAMEN1HTTKMT2AHSD17B10
SCHEMBL12431088 0.66 EIF2AK2 (0.51) PLK4PAK4FGFR1AURKAAURKB
SCHEMBL5068326 0.65 KDM4E (0.40) MEN1HTTKMT2AHSD17B10KDM4E
SCHEMBL12430658 0.65 AURKA (0.72) PLK4PAK4AURKAAURKB
SCHEMBL23889314 0.62 PLK4 (0.75) PLK4PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US claimed
EP-1345929-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP claimed
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors BEBBINGTON DAVID (GB) 2004-08-12 — — US claimed
US-20030004164-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 — — US claimed

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-20030004164-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PLK4 157/4885PAK4 365/4885FGFR1 1042/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 PLK4 120/4885PAK4 496/4885FGFR1 1039/4885
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PLK4 166/4885PAK4 454/4885FGFR1 1092/4885

“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.

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