SCHEMBL21935702

SCHEMBL21935702

c1ccc(-c2nc3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc4)cc3c3c(-c4ccccc4)cccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.39
▸ METAP1 P53582 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CCR1 P32246 2/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ CCR8 P51685 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALPL P05186 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TSHR P16473 2/20 0.37

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
SCHEMBL21933841 1.00 PIK3CA (0.39) PIK3CAMETAP1KDM4EMAPK1CCR1
SCHEMBL21934328 1.00 PIK3CA (0.39) PIK3CAMETAP1KDM4EMAPK1CCR1
SCHEMBL21934210 1.00 PIK3CA (0.39) PIK3CAMETAP1KDM4EMAPK1CCR1
SCHEMBL21934860 0.99 PIK3CA (0.38) PIK3CAMETAP1KDM4EMAPK1CCR1
SCHEMBL21934326 0.99 PIK3CA (0.38) PIK3CAMETAP1KDM4EMAPK1CCR1
SCHEMBL21935708 0.98 METAP1 (0.38) PIK3CAMETAP1KDM4EMAPK1CCR1
SCHEMBL21934866 0.97 METAP1 (0.37) PIK3CAMETAP1KDM4EMAPK1CCR1
SCHEMBL21933861 0.97 PIK3CA (0.38) PIK3CAMETAP1KDM4EMAPK1CCR1
SCHEMBL21933831 0.96 PIK3CA (0.46) PIK3CAMETAP1KDM4EMAPK1CCR1
SCHEMBL21934343 0.95 PIK3CA (0.39) PIK3CAMETAP1KDM4EMAPK1CCR1

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 4341/4885METAP1 2919/4885KDM4E 2576/4885

“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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