SCHEMBL20893214

SCHEMBL20893214

c1ccc(-c2nc3[nH]c4ccccc4n3c2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ G6PD P11413 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL20893121 0.84 ADORA2A (0.47) KDM4EALDH1A1MAPTCASP1HPGD
SCHEMBL20893059 0.84 KDM4E (0.41) KDM4EALDH1A1MAPTCASP1HPGD
SCHEMBL20876095 0.80 NPY5R (0.41) KDM4EALDH1A1MAPTHPGDPKM
SCHEMBL20893126 0.77 NPY5R (0.39) KDM4EALDH1A1MAPTHPGDPKM
SCHEMBL23295676 0.77 KDM4E (0.54) KDM4EALDH1A1MAPTCASP1HPGD
SCHEMBL20893071 0.75 L3MBTL1 (0.39) KDM4EALDH1A1MAPTHPGDPKM
SCHEMBL1698065 0.75 KDM4E (0.53) KDM4EALDH1A1MAPTHPGDPKM
SCHEMBL9262552 0.73 NR4A2 (0.45) KDM4EHPGDPOLBHSD17B10LMNA
SCHEMBL23076031 0.73 ADORA3 (0.43) KDM4EALDH1A1MAPTHPGDPKM
SCHEMBL12850767 0.73 MAPT (0.43) KDM4EMAPTPOLBADORA1GAA

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-20200295270-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-17 — — US disclosed
WO-2019068679-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-04-11 — — 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-20200295270-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM KDM4E 3061/4885ALDH1A1 33/4885MAPT 1878/4885

“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.

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