SCHEMBL21933831

SCHEMBL21933831

c1ccc(-c2cccc3c(-c4ccncc4)nc4ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc4c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ DUSP3 P51452 1/20 0.36

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
SCHEMBL21934304 1.00 PIK3CA (0.46) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21933841 0.96 PIK3CA (0.39) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21935702 0.96 PIK3CA (0.39) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21934328 0.96 PIK3CA (0.39) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21934210 0.96 PIK3CA (0.39) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21934326 0.95 PIK3CA (0.38) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21934860 0.95 PIK3CA (0.38) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21935708 0.94 METAP1 (0.38) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21933783 0.93 PIK3CA (0.40) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL21933861 0.93 PIK3CA (0.38) PIK3CAKDM4EALDH1A1MAPTHPGD

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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