SCHEMBL22248368

SCHEMBL22248368

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3n3c5ccccc5nc3n4-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
IL1R1 P14778 1/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
CRHBP P24387 1/20 0.34
RECQL P46063 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
SCHEMBL22247942 0.98 HTT (0.38) HTTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL22247701 0.95 HTT (0.40) HTTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL22247937 0.93 HTT (0.38) HTTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL24355840 0.93 ALDH1A1 (0.39) HTTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL22247925 0.93 ALDH1A1 (0.39) HTTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL22248164 0.91 HTT (0.40) HTTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL22247694 0.90 KDM4E (0.37) HTTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL29542195 0.90 KDM4E (0.37) HTTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL22247941 0.90 KDM4E (0.37) HTTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL24355893 0.90 KDM4E (0.34) HTTMAPK1ALDH1A1KDM4EHPGD

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-20220127285-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-28 US disclosed
WO-2020148243-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-23 WO 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-20220127285-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, L1CAM HTT 3409/4885MAPK1 165/4885ALDH1A1 11/4885

“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.