SCHEMBL21935789

SCHEMBL21935789

C=N/C(=C\C=C/C)c1cc(-c2cccc(-c3cccc(-c4ccc5nc(-c6ccccc6)c6cccc(-c7ccccc7)c6c5c4)c3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.30
▸ DHODH Q02127 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL23661890 0.85 — —
SCHEMBL25887036 0.83 HIF1A (0.34) MAPK1
SCHEMBL24762515 0.82 CNR2 (0.32) —
SCHEMBL23176879 0.81 SIRT2 (0.36) MAPK1
SCHEMBL21743331 0.81 HSP90AA1 (0.35) MAPK1RAB9A
SCHEMBL21935708 0.81 METAP1 (0.38) MAPK1DHODHNPC1
SCHEMBL24609840 0.80 CYP2C9 (0.32) —
SCHEMBL21934326 0.80 PIK3CA (0.38) MAPK1DHODHNPC1RAB9A
SCHEMBL21934860 0.80 PIK3CA (0.38) MAPK1DHODHNPC1RAB9A
SCHEMBL21935702 0.79 PIK3CA (0.39) MAPK1DHODHNPC1RAB9A

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 MAPK1 506/4885DHODH 247/4885NPC1 2458/4885

“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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