SCHEMBL2767273

SCHEMBL2767273

CN(C)c1cccc2onc(NCc3cc(C(F)(F)F)ccc3F)c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.42
KCNA5 P22460 3/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
IDO1 P14902 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
DHFR P00374 1/20 0.33
IDH2 P48735 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2767538 0.81 KCNA5 (0.36) EPHX2KCNA5
SCHEMBL2767481 0.79 P2RX7 (0.39) EPHX2KCNA5ALDH1A1
SCHEMBL2769043 0.78 P2RX7 (0.42) EPHX2KCNA5
SCHEMBL2767942 0.73 KCNA5 (0.43) EPHX2KCNA5KITKDRFLT3
SCHEMBL2440731 0.70 ALDH1A1 (0.44) ALDH1A1
SCHEMBL2767837 0.70 EPHX2 (0.67) EPHX2KCNA5
SCHEMBL2768253 0.69 KCNA5 (0.40) KCNA5
SCHEMBL2767262 0.67 KCNA5 (0.42) KCNA5ALDH1A1
SCHEMBL2441119 0.67 TP53 (0.48) AURKAAURKB
SCHEMBL2767725 0.65 EPHX2 (0.50) EPHX2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP claimed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP disclosed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 EPHX2 3694/4885KCNA5 38/4885JAK2 2159/4885

“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.