SCHEMBL23917381

SCHEMBL23917381

Brc1ccc2c(c1)nc1cc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 2/20 0.38
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PRNP P04156 1/20 0.35
CFTR P13569 2/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL21622736 0.90 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL31524172 0.87 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL16919361 0.87 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL23917408 0.86 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL23917330 0.84 KDM4E (0.40) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL15582477 0.84 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL21622720 0.83 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL21622763 0.82 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL16919452 0.82 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL23917350 0.80 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ENPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 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 (2 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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM ALDH1A1 504/4885HPGD 1534/4885KDM4E 2132/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALDH1A1 504/4885HPGD 1534/4885KDM4E 2132/4885

“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.