Sugi Predict

Sugi Predict / Compounds / SCHEMBL786159

SCHEMBL786159

SCHEMBL786159

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.61
▸ KMT2A Q03164 7/20 0.61
▸ GSK3A P49840 3/20 0.54
▸ GSK3B P49841 3/20 0.54
▸ AURKA O14965 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ EIF2AK2 P19525 1/20 0.54
▸ AURKB Q96GD4 1/20 0.54
▸ KDM1A O60341 1/20 0.52
▸ ABCG2 Q9UNQ0 5/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ABCC1 P33527 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PDE5A O76074 3/20 0.50
▸ PPARG P37231 1/20 0.50
▸ NCOA2 Q15596 1/20 0.50
▸ NCOA1 Q15788 1/20 0.50

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
SCHEMBL786419 0.89 ABCG2 (0.58) MEN1KMT2AGSK3AGSK3BAURKA
SCHEMBL801973 0.88 GSK3A (0.51) MEN1KMT2AGSK3AGSK3BAURKA
SCHEMBL786448 0.87 ABCG2 (0.61) MEN1KMT2AGSK3AGSK3BAURKA
SCHEMBL6715226 0.86 ADORA3 (0.55) MEN1KMT2AGSK3AGSK3BAURKA
SCHEMBL785493 0.86 MAPT (0.60) MEN1KMT2AGSK3AGSK3BAURKA
SCHEMBL785982 0.86 PDE5A (0.52) MEN1KMT2AGSK3AGSK3BAURKA
SCHEMBL786163 0.86 GSK3A (0.56) MEN1KMT2AGSK3AGSK3BAURKA
SCHEMBL802574 0.86 MAPK1 (0.53) MEN1KMT2AGSK3AGSK3BAURKA
SCHEMBL786514 0.86 MEN1 (0.55) MEN1KMT2AGSK3AGSK3BAURKA
SCHEMBL786810 0.86 ACP1 (0.53) MEN1KMT2AGSK3AGSK3BAURKA

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 49 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-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-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 — — US disclosed
US-6638926-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-10-28 — — 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
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

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 MEN1 2319/4885KMT2A 884/4885GSK3A 3/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 MEN1 2882/4885KMT2A 1557/4885GSK3A 455/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 2143/4885KMT2A 1125/4885GSK3A 4/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MEN1 1413/4885KMT2A 1457/4885GSK3A 2/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 2898/4885KMT2A 983/4885GSK3A 4/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 3280/4885KMT2A 1145/4885GSK3A 4/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP MEN1 4215/4885KMT2A 1895/4885GSK3A 2/4885

“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.