SCHEMBL12896123

SCHEMBL12896123

CC(C)Oc1ccc(-c2cn[nH]c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.44
▸ AKT1 P31749 3/20 0.42
▸ AKT2 P31751 2/20 0.42
▸ S1PR1 P21453 1/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ HIPK1 Q86Z02 2/20 0.39
▸ HIPK2 Q9H2X6 2/20 0.39
▸ HIPK3 Q9H422 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ CHEK1 O14757 2/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ JAK2 O60674 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
SCHEMBL12935881 0.81 CLK2 (0.50) MAPK8AKT1AKT2PIM1PIM3
SCHEMBL12896105 0.78 CYP11B1 (0.53) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL13466361 0.77 MAPK8 (0.47) MAPK8AKT1AKT2PIM1PIM3
SCHEMBL29689263 0.75 AKT2 (0.54) MAPK8AKT1AKT2PIM1PIM3
SCHEMBL16131991 0.74 CCR1 (0.56) MAPK8AKT1AKT2PIM1PIM3
SCHEMBL12896148 0.73 LTA4H (0.60) —
SCHEMBL12896156 0.73 CYP2C9 (0.37) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL18848895 0.73 CYP1A2 (0.43) CYP1A2
SCHEMBL12896215 0.73 CYP11B1 (0.43) PIM1CLK4CYP1A2CYP3A4CYP2C8
SCHEMBL12896184 0.72 FGFR3 (0.45) PIM1MAPK1CHEK1CYP1A2CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-8927551-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
US-8765735-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — 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 (3 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-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 MAPK8 4336/4885AKT1 2562/4885AKT2 3107/4885
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 MAPK8 4336/4885AKT1 2562/4885AKT2 3107/4885
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 MAPK8 4336/4885AKT1 2562/4885AKT2 3107/4885

“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.

Send feedback