SCHEMBL22036062

SCHEMBL22036062

c1ccc2c(c1)ccc1ccc(-c3nc(-n4c5ccccc5c5c4c4c6ccccc6c6cccc5n64)nc4ccccc34)cc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FLT3 P36888 2/20 0.32
BMX P51813 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 1/20 0.31
PTGES O14684 1/20 0.31

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 0.92 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22036060 0.88 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22035840 0.88 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22035836 0.88 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23760207 0.86 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22036682 0.83 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL25479828 0.82 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23760125 0.82 ALDH1A1 (0.32) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19162225 0.81 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22036672 0.81 KDM4E (0.32) 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 2 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-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.