SCHEMBL22062711

SCHEMBL22062711

c1ccc2c(c1)nc1n2c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc3c2n1c1nc2ccccc2n31

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
PRKDC P78527 5/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
FLT3 P36888 3/20 0.35
BMX P51813 2/20 0.35
GGPS1 O95749 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL22063196 0.94 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBFLT3
SCHEMBL22088886 0.88 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBFLT3
SCHEMBL22062715 0.84 CHEK2 (0.38) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL22062541 0.83 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL22063164 0.83 CHEK2 (0.39) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL22088219 0.83 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CBFLT3
SCHEMBL22063215 0.82 HPGD (0.36) FLT3ALDH1A1HPGDKDM4EKMT2A
SCHEMBL22063200 0.82 HPGD (0.36) FLT3BMXALDH1A1HPGDKDM4E
SCHEMBL16920060 0.82 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBFLT3
SCHEMBL22087358 0.81 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200185620-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-06-11 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-20200185620-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE EMC2, NFE2L2, AOC2 ALOX5 2455/4885PRKDC 4366/4885PIK3CD 4056/4885

“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.