Sugi Predict

Sugi Predict / Compounds / SCHEMBL1558073

SCHEMBL1558073

SCHEMBL1558073

NNC(=O)c1c[nH]c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.63
▸ CNR2 P34972 1/20 0.58
▸ ADORA2A P29274 1/20 0.56
▸ P2RX7 Q99572 2/20 0.53
▸ GPR84 Q9NQS5 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ CAMKK2 Q96RR4 2/20 0.50
▸ CCNE1 P24864 5/20 0.49
▸ CDK2 P24941 5/20 0.49
▸ MTNR1A P48039 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ AXL P30530 1/20 0.49
▸ KIF20A O95235 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46

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
SCHEMBL14406018 0.84 MAP2K1 (0.68) MAP2K1CNR2ADORA2AGPR84ROCK1
SCHEMBL13888057 0.84 ADORA2A (0.56) MAP2K1CNR2ADORA2AGPR84ROCK1
SCHEMBL586850 0.83 MAP2K1 (0.67) MAP2K1CNR2ADORA2AGPR84ROCK1
SCHEMBL29443820 0.83 MAP2K1 (0.67) MAP2K1CNR2ADORA2AGPR84ROCK1
SCHEMBL3608096 0.83 MAP2K1 (0.67) MAP2K1CNR2ADORA2AGPR84ROCK1
SCHEMBL8513280 0.83 MAP2K1 (0.62) MAP2K1CNR2ADORA2AGPR84ROCK1
SCHEMBL29468201 0.83 MAP2K1 (0.71) MAP2K1CNR2ADORA2AGPR84CAMKK2
SCHEMBL27708260 0.83 MAP2K1 (0.71) MAP2K1CNR2ADORA2AGPR84ROCK1
SCHEMBL985214 0.83 MAP2K1 (0.71) MAP2K1CNR2ADORA2AGPR84CAMKK2
SCHEMBL13306576 0.83 MAP2K1 (0.61) MAP2K1CNR2ADORA2AGPR84HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718609-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-08-08 — — US disclosed
US-11718609-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-08-08 — — US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 — — US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 — — US disclosed
US-20210130338-A1 Heparanase Inhibitors and Use Thereof Beta Therapeutics Pty Ltd (AU) 2021-05-06 — — US disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 — — EP disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 — — EP disclosed
US-20200093852-A1 Methods of Treating Ocular Disorders Beta Therapeutics Pty Ltd (AU) 2020-03-26 — — US disclosed
EP-3554505-A1 METHODS OF TREATING OCULAR DISORDERS Beta Therapeutics Pty. Ltd. (AU) 2019-10-23 — — EP disclosed
WO-2018107226-A1 METHODS OF TREATING OCULAR DISORDERS Beta Therapeutics Pty. Ltd. (AU) 2018-06-21 — — WO disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 — — US disclosed
EP-2303879-A1 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2011-04-06 — — EP disclosed
WO-2010020308-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 — — WO disclosed
WO-2010020308-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 — — WO disclosed
WO-2009071577-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 — — WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 — — WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 — — US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 — — US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 — — US disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 — — 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 (6 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-20200093852-A1 Methods of Treating Ocular Disorders ALDH1A2, HPSE, RB1 MAP2K1 2408/4885CNR2 2859/4885ADORA2A 3964/4885
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R MAP2K1 892/4885CNR2 144/4885ADORA2A 174/4885
US-20110166175-A1 7-AZAINDOLE DERIVATIVES JAK3, AZI2, MYLK2 MAP2K1 789/4885CNR2 1737/4885ADORA2A 690/4885
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA MAP2K1 536/4885CNR2 3747/4885ADORA2A 3666/4885
US-20210130338-A1 Heparanase Inhibitors and Use Thereof HPSE, HEXD, ENGASE MAP2K1 3894/4885CNR2 2521/4885ADORA2A 4026/4885
US-11718609-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE MAP2K1 3894/4885CNR2 2521/4885ADORA2A 4026/4885

“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.