Sugi Predict

Sugi Predict / Compounds / SCHEMBL785448

SCHEMBL785448

SCHEMBL785448

Cc1cc(Nc2nc(-c3ccccc3O)nc3ccccc23)[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.60
▸ KMT2A Q03164 10/20 0.60
▸ ALK Q9UM73 2/20 0.59
▸ NTRK1 P04629 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 5/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ RXFP1 Q9HBX9 3/20 0.55
▸ LMNA P02545 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.50
▸ CHEK2 O96017 4/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ AURKA O14965 2/20 0.48
▸ GSK3A P49840 2/20 0.47
▸ GSK3B P49841 2/20 0.47

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
SCHEMBL786854 0.88 CYP1A2 (0.60) MEN1KMT2AMAPTLMNAAURKA
SCHEMBL785492 0.87 GSK3B (0.54) MEN1KMT2AMAPTLMNAAURKA
SCHEMBL27592459 0.87 GSK3B (0.48) MEN1KMT2AALKMAPTRXFP1
SCHEMBL786017 0.87 CYP1A2 (0.61) MEN1KMT2AMAPTLMNAAURKA
SCHEMBL786175 0.85 CYP1A2 (0.50) MEN1KMT2AMAPTRXFP1LMNA
SCHEMBL785433 0.84 MAPT (0.51) MEN1KMT2AALKMAPTLMNA
SCHEMBL786844 0.84 CYP1A2 (0.61) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL786375 0.84 USP1 (0.48) MAPTLMNAEGFRAURKAGSK3A
SCHEMBL786402 0.84 GSK3B (0.65) MEN1KMT2AMAPTLMNAAURKA
SCHEMBL786098 0.83 CYP1A2 (0.62) MEN1KMT2AMAPTLMNA

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 34 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-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-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-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-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
EP-1318814-B1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-05-30 — — EP 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-1317447-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-2002022603-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 (9 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 884/4885ALK 640/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A MEN1 2949/4885KMT2A 1376/4885ALK 555/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 MEN1 2882/4885KMT2A 1557/4885ALK 748/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 2143/4885KMT2A 1125/4885ALK 546/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MEN1 1413/4885KMT2A 1457/4885ALK 461/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 2898/4885KMT2A 983/4885ALK 421/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A MEN1 2949/4885KMT2A 1376/4885ALK 555/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 3280/4885KMT2A 1145/4885ALK 693/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP MEN1 4215/4885KMT2A 1895/4885ALK 1776/4885

“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.