Sugi Predict

Sugi Predict / Compounds / SCHEMBL786514

SCHEMBL786514

SCHEMBL786514

O=C(NCc1ccccc1)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ PDE5A O76074 4/20 0.55
▸ GBA1 P04062 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ GSK3A P49840 3/20 0.51
▸ GSK3B P49841 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ PDE4B Q07343 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ AURKA O14965 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ EIF2AK2 P19525 1/20 0.48

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
SCHEMBL802574 0.90 MAPK1 (0.53) MEN1KMT2APDE5AGSK3AGSK3B
SCHEMBL785982 0.88 PDE5A (0.52) MEN1KMT2APDE5AGSK3AGSK3B
SCHEMBL786707 0.87 EGFR (0.49) MEN1KMT2AGSK3AGSK3BMAPT
SCHEMBL786810 0.87 ACP1 (0.53) MEN1KMT2APDE5AGSK3AGSK3B
SCHEMBL786646 0.86 ROCK2 (0.53) MEN1KMT2APDE5AGBA1GSK3A
SCHEMBL786159 0.86 MEN1 (0.61) MEN1KMT2APDE5AGSK3AGSK3B
SCHEMBL786419 0.86 ABCG2 (0.58) MEN1KMT2APDE5AGSK3AGSK3B
SCHEMBL786163 0.84 GSK3A (0.56) MEN1KMT2APDE5AGSK3AGSK3B
SCHEMBL801973 0.83 GSK3A (0.51) MEN1KMT2APDE5AGSK3AGSK3B
SCHEMBL786031 0.82 ACP1 (0.51) MEN1KMT2APDE5AGSK3AGSK3B

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225074-A1 Dihetero-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-04 — — US claimed
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-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 — — US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — 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 (8 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 884/4885PDE5A 3861/4885
US-20030225074-A1 Dihetero-substituted metalloprotease inhibitors ADAM9, ADAM17, ADAM8 MEN1 1048/4885KMT2A 1274/4885PDE5A 789/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 MEN1 2882/4885KMT2A 1557/4885PDE5A 2818/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 2143/4885KMT2A 1125/4885PDE5A 3307/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MEN1 1413/4885KMT2A 1457/4885PDE5A 3100/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 2898/4885KMT2A 983/4885PDE5A 4073/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MEN1 3280/4885KMT2A 1145/4885PDE5A 4228/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP MEN1 4215/4885KMT2A 1895/4885PDE5A 2118/4885

“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.