SCHEMBL460735

SCHEMBL460735

O=C(CC(=O)C1CC1)c1cnc(-c2ccccc2)n(-c2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CG P48736 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TYRO3 Q06418 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HSD11B1 P28845 1/20 0.34
GRIN1 Q05586 1/20 0.34
ALOX15 P16050 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
SCHEMBL461803 0.78 HTT (0.49) HTTMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL461957 0.73 CSF1R (0.35) HTTMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL461956 0.73 CSF1R (0.35) HTTMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL1527905 0.73 MAPT (0.58) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL454096 0.71 HTT (0.39) HTTMAPTALDH1A1GAAMEN1
SCHEMBL9894437 0.69 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL454360 0.68 HTT (0.43) HTTMAPTALDH1A1GAAMEN1
SCHEMBL30672492 0.68 MAPT (0.48) MAPTALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL29288019 0.68 MAPT (0.48) MAPTALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL1527903 0.68 MAPT (0.37) HTTMAPTALDH1A1CYP1A2CYP2C19

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 10 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

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-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES CBR3, CYP1B1, CBR1 GRIN2B 1301/4885HTT 2477/4885MAPT 4805/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 GRIN2B 1341/4885HTT 3986/4885MAPT 4761/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO GRIN2B 1366/4885HTT 3967/4885MAPT 4753/4885

“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.