SCHEMBL21660751

SCHEMBL21660751

OB(O)c1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 6/20 0.35
MEN1 O00255 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ADORA2A P29274 1/20 0.35
NUDT1 P36639 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL29843816 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL18921802 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL20175787 0.87 CA1 (0.33) CA1CA2
SCHEMBL19439415 0.86 CYP1A1 (0.37) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL24891224 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL15791097 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16785752 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL23132466 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL19439513 0.84 CYP1A1 (0.35) ALDH1A1HPGDMAPTLMNANPY1R
SCHEMBL18876850 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535619-B2 Hexacyclic heteroaromatic compounds for electronic devices MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
US-20220216424-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-07-07 US disclosed
US-20220162205-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-05-26 US disclosed
EP-3630764-B1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR USE IN ELEKTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-08-18 EP disclosed
EP-3583104-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-09 EP disclosed
US-10923665-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-02-16 US disclosed
US-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-28 US disclosed
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-06 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 (6 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-20220162205-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALDH1A1 473/4885KDM4E 1889/4885HPGD 1503/4885
US-10923665-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM ALDH1A1 441/4885KDM4E 1917/4885HPGD 1551/4885
US-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2J2, CYP2D6 ALDH1A1 647/4885KDM4E 2237/4885HPGD 209/4885
US-20220216424-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALDH1A1 473/4885KDM4E 1889/4885HPGD 1503/4885
US-11535619-B2 Hexacyclic heteroaromatic compounds for electronic devices ETV6, CYP2J2, CYP2D6 ALDH1A1 647/4885KDM4E 2237/4885HPGD 209/4885
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM ALDH1A1 441/4885KDM4E 1917/4885HPGD 1551/4885

“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.