Sugi Predict

Sugi Predict / Compounds / SCHEMBL786419

SCHEMBL786419

SCHEMBL786419

O=C(O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 8/20 0.58
▸ GSK3A P49840 4/20 0.58
▸ GSK3B P49841 4/20 0.58
▸ ABCC1 P33527 1/20 0.58
▸ MEN1 O00255 8/20 0.57
▸ KMT2A Q03164 8/20 0.57
▸ SIRT5 Q9NXA8 1/20 0.57
▸ AURKA O14965 1/20 0.55
▸ SRC P12931 1/20 0.55
▸ EIF2AK2 P19525 1/20 0.55
▸ AURKB Q96GD4 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 4/20 0.54
▸ TP53 P04637 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PDE5A O76074 4/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL786163 0.91 GSK3A (0.56) ABCG2GSK3AGSK3BABCC1MEN1
SCHEMBL786159 0.89 MEN1 (0.61) ABCG2GSK3AGSK3BABCC1MEN1
SCHEMBL786448 0.89 ABCG2 (0.61) ABCG2GSK3AGSK3BABCC1MEN1
SCHEMBL801973 0.86 GSK3A (0.51) ABCG2GSK3AGSK3BABCC1MEN1
SCHEMBL786514 0.86 MEN1 (0.55) ABCG2GSK3AGSK3BABCC1MEN1
SCHEMBL802574 0.86 MAPK1 (0.53) ABCG2GSK3AGSK3BABCC1MEN1
SCHEMBL786031 0.85 ACP1 (0.51) ABCG2GSK3AGSK3BABCC1MEN1
SCHEMBL786458 0.85 GSK3A (0.50) ABCG2GSK3AGSK3BABCC1MEN1
SCHEMBL785493 0.84 MAPT (0.60) ABCG2GSK3AGSK3BABCC1MEN1
SCHEMBL6715226 0.84 ADORA3 (0.55) ABCG2GSK3AGSK3BABCC1MEN1

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 51 patents — showing the first 20. 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-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-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-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 — — US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 — — US disclosed
EP-1317450-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2003-06-11 — — EP disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 — — US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — US disclosed
WO-2002022604-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO 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 (7 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A ABCG2 1059/4885GSK3A 3/4885GSK3B 4/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 ABCG2 2916/4885GSK3A 455/4885GSK3B 461/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ABCG2 910/4885GSK3A 4/4885GSK3B 3/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ABCG2 2285/4885GSK3A 2/4885GSK3B 1/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ABCG2 1775/4885GSK3A 4/4885GSK3B 3/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ABCG2 1874/4885GSK3A 4/4885GSK3B 3/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP ABCG2 1382/4885GSK3A 2/4885GSK3B 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.