Sugi Predict

Sugi Predict / Compounds / SCHEMBL802152

SCHEMBL802152

SCHEMBL802152

COc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(C)cc3n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 14/20 0.76
▸ AURKB Q96GD4 7/20 0.76
▸ GSK3B P49841 4/20 0.61
▸ SRC P12931 3/20 0.61
▸ EIF2AK2 P19525 1/20 0.61
▸ GSK3A P49840 1/20 0.61
▸ ABCG2 Q9UNQ0 3/20 0.53
▸ ABCB1 P08183 2/20 0.53
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CASP1 P29466 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
SCHEMBL802209 0.86 AURKA (0.82) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL13963094 0.85 AURKA (0.70) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL802445 0.84 ABCG2 (0.53) AURKAAURKBABCG2ABCB1LMNA
SCHEMBL12619236 0.81 AURKA (0.86) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL12619256 0.80 AURKA (0.81) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL802151 0.80 AURKA (0.76) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL802544 0.79 AURKA (0.60) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL12653547 0.79 AURKA (0.60) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL802158 0.78 AURKA (0.56) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL12619259 0.77 AURKA (0.58) AURKAAURKBGSK3BSRCEIF2AK2

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 17 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-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 AURKA 7/4885AURKB 12/4885GSK3B 1/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 AURKA 8/4885AURKB 19/4885GSK3B 1/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A AURKA 7/4885AURKB 12/4885GSK3B 1/4885

“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.