Sugi Predict

Sugi Predict / Compounds / SCHEMBL801864

SCHEMBL801864

SCHEMBL801864

Cc1cc(Nc2nc(Cl)nc3nccnc23)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 5/20 0.59
▸ PLK4 O00444 4/20 0.59
▸ MEN1 O00255 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ AURKA O14965 10/20 0.42
▸ AURKB Q96GD4 6/20 0.42
▸ ITK Q08881 1/20 0.40
▸ JAK2 O60674 4/20 0.40
▸ FGFR1 P11362 3/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ NTRK1 P04629 2/20 0.40
▸ RET P07949 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ TNK2 Q07912 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ STK10 O94804 1/20 0.40

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
SCHEMBL802876 0.81 PLK4 (0.62) PAK4PLK4MEN1HTTKMT2A
SCHEMBL30227668 0.81 PLK4 (0.62) PAK4PLK4MEN1HTTKMT2A
SCHEMBL22054614 0.76 PAK4 (0.53) PAK4PLK4MEN1HTTKMT2A
SCHEMBL588674 0.76 PAK4 (0.62) PAK4PLK4MEN1HTTKMT2A
SCHEMBL4016823 0.75 PLK4 (0.55) PAK4PLK4MEN1HTTKMT2A
SCHEMBL4019999 0.75 PAK4 (0.54) PAK4PLK4MEN1HTTKMT2A
SCHEMBL218565 0.74 PAK4 (0.60) PAK4PLK4MEN1HTTKMT2A
SCHEMBL218642 0.74 MEN1 (0.62) PAK4PLK4MEN1HTTKMT2A
SCHEMBL219046 0.73 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A
SCHEMBL22600946 0.73 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — 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 (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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A PAK4 364/4885PLK4 152/4885MEN1 2949/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 PAK4 973/4885PLK4 318/4885MEN1 1413/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A PAK4 364/4885PLK4 152/4885MEN1 2949/4885

“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.