SCHEMBL14840609

SCHEMBL14840609

CCc1sc(-c2ccccn2)nc1-c1ccc2c(c1)OCC(c1c(F)cccc1F)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
GFER P55789 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
ALDH1A1 P00352 3/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPK1 P28482 2/20 0.32
RAB9A P51151 1/20 0.32
TGFBR1 P36897 3/20 0.31
GLA P06280 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
CSNK1A1 P48729 2/20 0.31
CSNK1D P48730 2/20 0.31
CSNK1E P49674 2/20 0.31
CSNK1G2 P78368 1/20 0.31
PRKD1 Q15139 1/20 0.31
MAPK14 Q16539 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
RIPK2 O43353 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
SCHEMBL14840852 0.89 RAB9A (0.35) KDM4EGFERCYP1A2CYP1A1CYP1B1
SCHEMBL14841083 0.87 CYP1A1 (0.34) KDM4ECYP1A2CYP1A1CYP1B1GLA
SCHEMBL14840745 0.86 SREBF1 (0.33) CYP1A2CYP1A1CYP1B1
SCHEMBL14840855 0.85 KDM4E (0.38) KDM4EGFERCYP1A2CYP1A1CYP1B1
SCHEMBL14841201 0.84 APEX1 (0.36) KDM4EGFERCYP1A2CYP1A1CYP1B1
SCHEMBL14840964 0.76 CYP1A1 (0.33) CYP1A2CYP1A1CYP1B1ALDH1A1GLA
SCHEMBL14841053 0.76 KMT2A (0.36) KDM4EGFERCYP1A2CYP1A1CYP1B1
SCHEMBL14840700 0.67 BACE1 (0.32) MAPT
SCHEMBL14840653 0.67 LTB4R (0.33)
SCHEMBL14840773 0.66 STIM1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US claimed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO claimed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 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-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS RYR2, CACNA1E, RYR1 KDM4E 2904/4885GFER 2363/4885CYP1A2 606/4885

“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.