Sugi Predict

Sugi Predict / Compounds / SCHEMBL802449

SCHEMBL802449

SCHEMBL802449

CCOc1cccc2c(Nc3nc(C)n[nH]3)nc(-c3ccccc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.54
▸ AURKB Q96GD4 5/20 0.54
▸ GSK3A P49840 3/20 0.42
▸ GSK3B P49841 3/20 0.42
▸ SRC P12931 1/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ ABCG2 Q9UNQ0 6/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE5A O76074 1/20 0.38

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
SCHEMBL801952 0.82 AURKA (0.79) AURKAAURKBGSK3AGSK3BSRC
SCHEMBL786303 0.78 GSK3B (0.64) AURKAAURKBGSK3AGSK3BSRC
SCHEMBL801860 0.76 GSK3B (0.62) AURKAAURKBGSK3AGSK3BSRC
SCHEMBL14529400 0.72 ADORA2B (0.45) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL802816 0.72 GSK3B (0.66) AURKAAURKBGSK3AGSK3BSRC
SCHEMBL802260 0.69 ABCG2 (0.53) AURKAAURKBGSK3AGSK3BSRC
SCHEMBL802256 0.68 AURKA (0.69) AURKAAURKBGSK3AGSK3BSRC
SCHEMBL802261 0.68 GBA1 (0.52) AURKAAURKBGSK3AGSK3BSRC
SCHEMBL802825 0.67 MEN1 (0.54) AURKAAURKBGSK3AGSK3BSRC
SCHEMBL802445 0.64 ABCG2 (0.53) AURKAAURKBABCG2MEN1KMT2A

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 12/4885GSK3A 3/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 AURKA 8/4885AURKB 19/4885GSK3A 2/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A AURKA 7/4885AURKB 12/4885GSK3A 3/4885

“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.