SCHEMBL17000211

SCHEMBL17000211

CC(C)C(C)c1ccnc(C(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 1/20 0.36
▸ AAK1 Q2M2I8 19/20 0.34
▸ CIT O14578 3/20 0.34
▸ GAK O14976 3/20 0.34
▸ MKNK1 Q9BUB5 3/20 0.34
▸ BMP2K Q9NSY1 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ PRKG2 Q13237 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PKN2 Q16513 1/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ LATS2 Q9NRM7 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ MYLK2 Q9H1R3 1/20 0.33
▸ TNIK Q9UKE5 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
SCHEMBL11994360 0.84 SMARCA2 (0.38) SMARCA2AAK1CITGAKMKNK1
SCHEMBL27406023 0.81 SMARCA2 (0.36) SMARCA2AAK1CITGAKMKNK1
SCHEMBL17981895 0.81 AAK1 (0.36) SMARCA2AAK1CITGAKMKNK1
SCHEMBL21398692 0.78 USP2 (0.39) SMARCA2AAK1CITGAKMKNK1
SCHEMBL17897224 0.78 RXRA (0.36) SMARCA2AAK1CITGAKMKNK1
SCHEMBL17000193 0.76 LOXL2 (0.39) AAK1CYP3A4ROCK2TNIK
SCHEMBL17000205 0.74 CCR1 (0.36) CYP3A4CHRNA7
SCHEMBL17000190 0.74 UHRF1 (0.48) SMARCA2CYP3A4
SCHEMBL17000214 0.73 NR1H2 (0.34) —
SCHEMBL23029937 0.72 CYP17A1 (0.33) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 — — US disclosed
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 — — US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 — — US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 — — US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 — — US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 — — 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 (2 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-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES CBR3, CYP3A7, PRDX3 SMARCA2 3555/4885AAK1 3080/4885CIT 1324/4885
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES CYP4X1, PRDX4, PRDX5 SMARCA2 3808/4885AAK1 2912/4885CIT 2182/4885

“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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