SCHEMBL22893871

SCHEMBL22893871

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
NR3C1 P04150 1/20 0.30
PLA2G10 O15496 1/20 0.30
TSPO P30536 1/20 0.30

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
SCHEMBL22893872 0.97 PGR (0.33) PGRPLA2G2APLA2G4ARAC2RAC3
SCHEMBL22893781 0.97 PGR (0.34) PGRPLA2G2APLA2G4ACASP3SENP7
SCHEMBL22893870 0.92 L3MBTL1 (0.38) PGRPLA2G2APLA2G4ACASP3SENP7
SCHEMBL22893994 0.91 ABCG2 (0.33)
SCHEMBL22894172 0.90 ABCG2 (0.36) RAC2RAC3CDC42RAC1
SCHEMBL24216513 0.90 PLA2G2A (0.36) PGRPLA2G2APLA2G4ARAC2RAC3
SCHEMBL22893782 0.90 SIRT2 (0.34) PGR
SCHEMBL22893792 0.89 ABCG2 (0.36) RAC2RAC3CDC42RAC1
SCHEMBL22894085 0.89 ALDH1A1 (0.33) PGRPLA2G2APLA2G4A
SCHEMBL10059283 0.89 CHEK2 (0.36) PGRPLA2G2APLA2G4ARAC2RAC3

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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 PGR 1594/4885PLA2G2A 4090/4885PLA2G4A 4219/4885

“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.