SCHEMBL13170010

SCHEMBL13170010

CC(=O)Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TAS2R14 Q9NYV8 1/20 0.52
▸ GSK3A P49840 5/20 0.52
▸ GSK3B P49841 5/20 0.52
▸ SRPK1 Q96SB4 4/20 0.52
▸ AURKA O14965 1/20 0.52
▸ PRKX P51817 1/20 0.52
▸ PRKG1 Q13976 1/20 0.52
▸ MAPKAPK5 Q8IW41 1/20 0.52
▸ GRM5 P41594 2/20 0.50
▸ MAPK8 P45983 2/20 0.50
▸ CLK4 Q9HAZ1 8/20 0.49
▸ ACVR1 Q04771 7/20 0.49
▸ HIPK4 Q8NE63 5/20 0.49
▸ STK3 Q13188 4/20 0.49
▸ AURKB Q96GD4 4/20 0.49
▸ MAP4K4 O95819 4/20 0.49
▸ FLT3 P36888 3/20 0.49
▸ CSNK2A1 P68400 3/20 0.49

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
SCHEMBL2635287 0.84 TAS2R14 (0.57) TAS2R14GSK3AGSK3BSRPK1AURKA
SCHEMBL10183380 0.84 KDM4E (0.57) KDM4ELMNAGRM5MAPK8SYK
SCHEMBL29640129 0.83 P2RX7 (0.53) TAS2R14GSK3AGSK3BSRPK1AURKA
SCHEMBL5031654 0.83 P2RX7 (0.53) TAS2R14GSK3AGSK3BSRPK1AURKA
SCHEMBL13591378 0.83 KDM4E (0.56) KDM4ELMNAMAPK8SYK
SCHEMBL1464316 0.82 GSK3A (0.49) TAS2R14GSK3AGSK3BSRPK1AURKA
SCHEMBL9891927 0.82 GSK3A (0.52) TAS2R14GSK3AGSK3BSRPK1AURKA
SCHEMBL18425134 0.82 ACVR1 (0.49) TAS2R14GSK3AGSK3BSRPK1AURKA
SCHEMBL821844 0.81 KDM4E (0.71) KDM4ELMNAGRM5MAPK8
SCHEMBL14960342 0.81 GSK3A (0.48) TAS2R14GSK3AGSK3BSRPK1AURKA

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 — — US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 — — US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 — — US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 — — US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 — — US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 — — 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-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 KDM4E 2105/4885LMNA 2648/4885TAS2R14 3737/4885

“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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