SCHEMBL21933783

SCHEMBL21933783

c1ccc(-c2nc3cc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)ccc3c3c(-c4ccncc4)cccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ IMPDH2 P12268 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ METAP1 P53582 3/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 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
SCHEMBL21933838 1.00 PIK3CA (0.40) PIK3CAKDM4EALDH1A1MAPTALK
SCHEMBL21934970 0.96 METAP1 (0.37) KDM4EALDH1A1MAPTALKHPGD
SCHEMBL21934917 0.96 METAP1 (0.37) KDM4EALDH1A1MAPTALKHPGD
SCHEMBL21935678 0.96 METAP1 (0.37) KDM4EALDH1A1MAPTALKHPGD
SCHEMBL21934957 0.96 METAP1 (0.37) KDM4EALDH1A1MAPTALKHPGD
SCHEMBL21934532 0.95 METAP1 (0.37) KDM4EALKTDP1METAP1MAPK1
SCHEMBL21934882 0.95 METAP1 (0.37) KDM4EALKTDP1METAP1MAPK1
SCHEMBL21934740 0.94 TDP1 (0.41) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21934357 0.94 METAP1 (0.37) KDM4ETDP1METAP1MAPK1LMNA
SCHEMBL21934511 0.93 METAP1 (0.37) KDM4EALKTDP1METAP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 — — 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 (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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 PIK3CA 4341/4885KDM4E 2576/4885ALDH1A1 8/4885

“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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