SCHEMBL22036682

SCHEMBL22036682

c1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-n3c4ccccc4c4c3c3cccc5c6ccccc6c4n53)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
ADORA2A P29274 3/20 0.32
HSD17B10 Q99714 2/20 0.30
SCN9A Q15858 2/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 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
SCHEMBL22036061 0.91 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22036680 0.90 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22036075 0.90 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22036067 0.90 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22036353 0.88 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL12014846 0.83 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23760201 0.83 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19161204 0.83 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19162672 0.83 L3MBTL1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22036062 0.83 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1

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 3 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
EP-3630764-B1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR USE IN ELEKTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-08-18 EP disclosed
US-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-28 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-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2J2, CYP2D6 ALDH1A1 647/4885HPGD 209/4885KDM4E 2237/4885
US-11535619-B2 Hexacyclic heteroaromatic compounds for electronic devices ETV6, CYP2J2, CYP2D6 ALDH1A1 647/4885HPGD 209/4885KDM4E 2237/4885

“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.