SCHEMBL2186121

SCHEMBL2186121

CC(=O)c1cnc(OC(F)(F)CF)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 8/20 0.40
▸ GRIN1 Q05586 8/20 0.40
▸ GRIN2B Q13224 8/20 0.40
▸ MAOB P27338 7/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRM4 Q14833 1/20 0.31

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
SCHEMBL2186123 0.76 L3MBTL1 (0.49) RXRAGRIN1GRIN2BMAOBL3MBTL1
SCHEMBL2185795 0.73 RXRA (0.32) RXRAGRIN1GRIN2BGAA
SCHEMBL2187864 0.70 MAPT (0.43) RXRAGRIN1GRIN2BL3MBTL1GAA
SCHEMBL9281084 0.70 RXRA (0.32) RXRAGRIN1GRIN2B
Hydrochloric Acid SCHEMBL8468117 0.69 RXRA (0.31) RXRAGRIN1GRIN2B
SCHEMBL17553576 0.69 ALDH1A1 (0.41) MAOBL3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL34467352 0.68 RXRA (0.44) RXRAGRIN1GRIN2BL3MBTL1GAA
SCHEMBL22787155 0.67 L3MBTL1 (0.47) L3MBTL1GAAMAPT
SCHEMBL1924426 0.67 SCN9A (0.44) RXRAMAOBMAOAGAAKDM4E
SCHEMBL19962271 0.66 MAPK1 (0.39) GAAKDM4EMAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 — — US disclosed
EP-1802632-B1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2011-07-13 — — EP disclosed
EP-1802632-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2007-07-04 — — EP disclosed
WO-2006047397-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2006-05-04 — — WO disclosed
US-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2006-04-27 — — 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 (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-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS RXRA 2701/4885GRIN1 3197/4885GRIN2B 2210/4885

“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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