SCHEMBL22148787

SCHEMBL22148787

c1cncc(-c2ccc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP2A6 P11509 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
DHODH Q02127 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
KIF11 P52732 1/20 0.38
MAPK14 Q16539 1/20 0.38
RAD51 Q06609 1/20 0.37
FGFR1 P11362 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL30338758 0.93 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL21889487 0.93 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL21889549 0.89 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL21889548 0.89 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL30339204 0.89 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL30339243 0.89 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL21562747 0.87 KDM4E (0.41) ALDH1A1DHODHMAPK14KDM4EMAPT
SCHEMBL30709266 0.85 CYP11B1 (0.44) CYP11B2CYP11B1CYP2A6ALDH1A1CYP1A2
SCHEMBL21562903 0.85 MAOA (0.44) CYP11B2MAPK14KDM4E
SCHEMBL21562780 0.85 MAOA (0.44) CYP11B2MAPK14KDM4E

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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 CYP11B2 244/4885CYP11B1 467/4885CYP19A1 457/4885

“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.