SCHEMBL11902630

SCHEMBL11902630

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1ccn2CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ ICMT O60725 1/20 0.36
▸ PDE4D Q08499 5/20 0.36
▸ PADI4 Q9UM07 1/20 0.36
▸ PDE4B Q07343 7/20 0.35
▸ PDE4A P27815 6/20 0.35
▸ PDE4C Q08493 6/20 0.35
▸ GCGR P47871 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ BDKRB1 P46663 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34

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
SCHEMBL11903226 0.84 HDAC1 (0.39) PDE4DPDE4BGCGRPTGER4CYP1A2
SCHEMBL11903049 0.80 GAA (0.41) CYP1A2CYP2C9CYP2C19
SCHEMBL11903405 0.80 PDE4D (0.37) GRIN2BPDE4DPDE4BPDE4APDE4C
SCHEMBL11902550 0.78 HTT (0.45) CYP1A2CYP2C19
SCHEMBL12786537 0.77 PDE4D (0.33) GRIN2BPDE4DPDE4BGCGR
SCHEMBL11913403 0.76 GABRA2 (0.38) GRIN2BPDE4DPDE4BPDE4APDE4C
SCHEMBL27147232 0.76 CFD (0.39) GRM2ICMTPDE4DPADI4PDE4B
SCHEMBL12786037 0.76 CSF1R (0.39) GRM2PDE4DPDE4BPDE4APDE4C
SCHEMBL11903155 0.75 CRHR1 (0.40) GRM2PDE4DPDE4BPDE4APDE4C
SCHEMBL1653854 0.74 GCGR (0.37) GRIN2BPDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — 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 (1 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO GRM2 334/4885GRIN2B 682/4885ICMT 1443/4885

“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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