SCHEMBL5213685

SCHEMBL5213685

COc1cccc2nc(C)ncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
PDGFRB P09619 1/20 0.46
KDR P35968 1/20 0.46
GRM5 P41594 2/20 0.45
KCNH2 Q12809 2/20 0.45
PKM P14618 2/20 0.45
NQO2 P16083 5/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
RAB9A P51151 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL31391352 1.00 EGFR (0.46) EGFRPDGFRBKDRGRM5KCNH2
SCHEMBL25381297 0.81 ALDH1A1 (0.53) GRM5KCNH2NQO2POLBMAPT
SCHEMBL10613423 0.81 GRM5 (0.44) GRM5KCNH2NQO2POLBLMNA
SCHEMBL28042920 0.81 GRM5 (0.44) PDGFRBGRM5KCNH2PKMNQO2
Hydrochloric Acid SCHEMBL28044722 0.79 ALDH1A1 (0.51) GRM5KCNH2NQO2POLBMAPT
SCHEMBL5207766 0.79 NCF1 (0.45) ALDH1A1
SCHEMBL8404379 0.77 CYP1A2 (0.42) POLBLMNAPDE3BPDE3AALDH1A1
SCHEMBL25337729 0.77 SMN1; SMN2 (0.46) GRM5KCNH2NQO2LMNAMAPT
SCHEMBL31391358 0.76 PKM (0.43) PDGFRBPKMNQO2MAPTPDE10A
SCHEMBL25381668 0.74 ELANE (0.41) GRM5KCNH2NQO2POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 EGFR 2359/4885PDGFRB 1587/4885KDR 3894/4885

“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.