SCHEMBL30709336

SCHEMBL30709336

c1cncc(-c2ccccc2-c2c(-n3c4ccccc4c4cc5ccccc5cc43)c(-n3c4ccccc4c4cc5ccccc5cc43)nc(-n3c4ccccc4c4cc5ccccc5cc43)c2-n2c3ccccc3c3cc4ccccc4cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.44
MAPK14 Q16539 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
CYP11B2 P19099 9/20 0.38
CYP19A1 P11511 2/20 0.37
CYP17A1 P05093 1/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
STAT1 P42224 1/20 0.36
GSK3B P49841 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 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
SCHEMBL30709266 0.92 CYP11B1 (0.44) CYP11B1MAPK14GPR84CYP11B2MAPT
SCHEMBL30709426 0.88 CYP11B1 (0.40) CYP11B1MAPK14GPR84CYP11B2CYP19A1
SCHEMBL30709572 0.87 MAPK14 (0.41) CYP11B1MAPK14GPR84CYP11B2MAPT
SCHEMBL22148761 0.87 MAPK14 (0.41) CYP11B1MAPK14GPR84CYP11B2MAPT
SCHEMBL22148892 0.87 MAPK14 (0.41) CYP11B1MAPK14GPR84CYP11B2MAPT
SCHEMBL30709220 0.87 MAPK14 (0.41) CYP11B1MAPK14GPR84CYP11B2MAPT
SCHEMBL30709191 0.87 CYP11B1 (0.40) CYP11B1MAPK14GPR84CYP11B2CYP17A1
SCHEMBL30709295 0.84 CYP11B2 (0.42) CYP11B1MAPK14CYP11B2CYP19A1CYP17A1
SCHEMBL30709686 0.83 MAPK14 (0.40) CYP11B1MAPK14GPR84CYP11B2MAPT
SCHEMBL30709450 0.82 MAPT (0.30) MAPT

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-11849634-B2 Composition of matter for use in organic light- emitting diodes KYULUX, INC. (JP) 2023-12-19 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-11849634-B2 Composition of matter for use in organic light- emitting diodes NDUFV3, NDUFV2, CRY2 CYP11B1 467/4885MAPK14 4682/4885GPR84 3867/4885

“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.