SCHEMBL11903226

SCHEMBL11903226

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1ccn2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ PDE4D Q08499 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ GCGR P47871 1/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11902835 0.89 EGLN1 (0.40) HDAC1HDAC2PDE4DLMNAFGFR1
SCHEMBL11903049 0.87 GAA (0.41) LMNACYP1A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL11903405 0.87 PDE4D (0.37) HDAC1PDE4DPDE4BFGFR1FGFR4
SCHEMBL11902550 0.86 HTT (0.45) HDAC1CYP1A2SMN1; SMN2HDAC4HDAC6
SCHEMBL11902630 0.84 GRM2 (0.37) PDE4DPDE4BCYP1A2PTGER4GCGR
SCHEMBL1654751 0.80 MAPK8 (0.41) PDE4DPDE4BCYP1A2SMN1; SMN2KDM4E
SCHEMBL11902751 0.78 CYP1A2 (0.44) LMNACYP1A2KDM4EALDH1A1
SCHEMBL11903413 0.78 ALDH1A1 (0.39) HDAC1ABL1CYP1A2SMN1; SMN2HDAC4
SCHEMBL12786537 0.77 PDE4D (0.33) HDAC1PDE4DPDE4BFGFR1FGFR4
SCHEMBL11913403 0.77 GABRA2 (0.38) PDE4DABL1PDE4BCYP1A2SMN1; SMN2

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 HDAC1 1737/4885HDAC2 922/4885PDE4D 3019/4885

“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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