SCHEMBL286319

SCHEMBL286319

[c]1cnnc2ncccc12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.33

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
SCHEMBL277687 0.71 NUDT1 (0.32) NUDT1
SCHEMBL3931795 0.68
SCHEMBL3931666 0.67 TP53 (0.31)
SCHEMBL286948 0.67 ALDH1A1 (0.37)
SCHEMBL451100 0.64
SCHEMBL6345969 0.64 NUDT1 (0.31) NUDT1
SCHEMBL277722 0.62 MAPT (0.38)
SCHEMBL31254127 0.62 ALDH1A1 (0.44) NUDT1
SCHEMBL29600604 0.62 ALDH1A1 (0.44) NUDT1
SCHEMBL12406 0.62 ALDH1A1 (0.44) NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021083185-A1 PYRIMIDINE-CONTAINING PIPERIDINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO claimed
EP-2828262-A1 IMIDAZOTRIAZINONE COMPOUNDS Forum Pharmaceuticals Inc. (US) 2015-01-28 EP claimed
WO-2013142269-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2013-09-26 WO claimed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP claimed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP claimed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US claimed
EP-1836211-A1 MACROLIDES Pfizer Products Incorporated (US) 2007-09-26 EP claimed
WO-2006067589-A1 MACROLIDES PFIZER PRODUCTS INC. (US) 2006-06-29 WO claimed
WO-2021083186-A1 PIPERIDINAMINE COMPOUND CONTAINING FUSED RING PYRIMIDINE, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO disclosed
WO-2021083185-A1 PYRIMIDINE-CONTAINING PIPERIDINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-9732088-B2 C2-carbocyclic iminothiazine dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
WO-2009010156-A2 SUBSTITUTED PHENYLPROPOARGYL COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF SAME AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-01-22 WO disclosed
EP-2017264-A1 Substituted phenyl propargyl compounds, method for their manufacture and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2009-01-21 EP disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 NUDT1 1129/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A NUDT1 182/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 NUDT1 1181/4885

“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.