SCHEMBL456941

SCHEMBL456941

NC(=NCc1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 17/20 1.00
▸ GRIN1 Q05586 6/20 1.00
▸ NOS2 P35228 1/20 0.59
▸ GRIN2D O15399 2/20 0.53
▸ GRIN3B O60391 2/20 0.53
▸ GRIN2A Q12879 2/20 0.53
▸ GRIN2C Q14957 2/20 0.53
▸ GRIN3A Q8TCU5 2/20 0.53
▸ SIGMAR1 Q99720 2/20 0.53

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
SCHEMBL17196594 1.00 GRIN2B (1.00) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL19688443 0.88 GRIN2B (1.00) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL6136309 0.87 GRIN2B (0.76) GRIN2BGRIN1NOS2
SCHEMBL20860962 0.82 GRIN2B (0.69) GRIN2BGRIN1NOS2
SCHEMBL17178567 0.82 GRIN2B (0.69) GRIN2BGRIN1NOS2
SCHEMBL17253944 0.82 GRIN2B (0.69) GRIN2BGRIN1NOS2
SCHEMBL4989774 0.82 GRIN2B (0.69) GRIN2BGRIN1NOS2
Hydrochloric Acid SCHEMBL4741316 0.81 GRIN2B (0.67) GRIN2BGRIN1
SCHEMBL45769 0.79 GRIN2B (0.68) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL27750271 0.78 GRIN2B (0.61) GRIN2BGRIN1NOS2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630928-B2 Intermediates to prepare herbicidal pyrimidone derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-04-25 — — US disclosed
EP-2475654-B1 HERBICIDAL PYRIMIDONE DERIVATIVES DU PONT (US) 2016-12-28 — — EP disclosed
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2016-01-28 — — US disclosed
US-9187432-B2 Intermediates to prepare herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-11-17 — — US disclosed
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2015-04-16 — — US disclosed
US-8952024-B2 Herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-10 — — US disclosed
EP-2475654-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2012-07-18 — — EP disclosed
US-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES FMC CORPORATION 2012-06-14 — — US disclosed
WO-2012033548-A2 HERBICIDAL BIS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 — — WO disclosed
WO-2011031658-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-17 — — WO disclosed
WO-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 — — WO disclosed
US-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 — — US disclosed
EP-0051787-A2 Amidines and amidine/isocyanate adducts, methods of preparing them and their use as catalysts in curing epoxy resins BAYER AG (DE) 1982-05-19 — — EP 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 (4 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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 GRIN2B 1547/4885GRIN1 1379/4885NOS2 176/4885
US-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES CBR3, CYP1B1, CBR1 GRIN2B 1301/4885GRIN1 1462/4885NOS2 83/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 GRIN2B 1341/4885GRIN1 1362/4885NOS2 243/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO GRIN2B 1366/4885GRIN1 1332/4885NOS2 233/4885

“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.

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