SCHEMBL14840944

SCHEMBL14840944

COc1cc(C)c(OBOc2cnc(OC)cc2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.46
▸ CYP2A6 P11509 2/20 0.37
▸ PDGFRB P09619 3/20 0.35
▸ PDGFRA P16234 3/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 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
SCHEMBL16475219 0.87 NNMT (0.49) NNMTCYP2A6PDGFRBPDGFRAMEN1
SCHEMBL27485620 0.84 NNMT (0.52) NNMTCYP2A6PDGFRBPDGFRAMEN1
SCHEMBL20845882 0.77 NNMT (0.46) NNMTCYP2A6MEN1PABPC1KMT2A
SCHEMBL17553321 0.76 NNMT (0.45) NNMTCYP2A6PDGFRBPDGFRAMEN1
SCHEMBL20845912 0.76 NNMT (0.45) NNMTCYP2A6PDGFRBPDGFRAMEN1
SCHEMBL17493534 0.76 NNMT (0.34) NNMTPDGFRBPDGFRAMEN1PABPC1
SCHEMBL2614474 0.74 NNMT (0.55) NNMTCYP2A6PDGFRBPDGFRAMEN1
SCHEMBL26144368 0.74 NNMT (0.47) NNMTCYP2A6PDGFRBPDGFRAMEN1
SCHEMBL19621096 0.74 NNMT (0.44) NNMTCYP2A6MEN1KMT2AOXTR
SCHEMBL20845927 0.72 NNMT (0.41) NNMTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NNMT 4541/4885CYP2A6 919/4885PDGFRB 1202/4885

“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