SCHEMBL21215947

SCHEMBL21215947

C=N/C(=C\C=C/C)c1cc(-c2ccccn2)cc(-c2ccc3cc(-c4cccc(-c5ccc6cc7ccccc7cc6n5)n4)ccc3n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KLF5 Q13887 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL20169567 0.82 KAT6A (0.35) KDM4EMAPTLMNASMN1; SMN2TP53
SCHEMBL21215771 0.78 NPC1 (0.44) SIRT2KDM4EMAPTLMNAPKM
SCHEMBL21215633 0.78 KDM4E (0.50) SIRT2KDM4EMAPTLMNAPKM
SCHEMBL22650171 0.78 KDM4E (0.36) KDM4ELMNAPKMSMN1; SMN2ALDH1A1
SCHEMBL22147418 0.77 CNR1 (0.37) SIRT2KDM4EPIK3CAPIK3CGTDP1
SCHEMBL21215774 0.76 NPC1 (0.44) SIRT2KDM4EMAPTLMNAPKM
SCHEMBL20169564 0.76 KDM4E (0.37) KDM4ELMNASMN1; SMN2ALDH1A1ABL1
SCHEMBL21098947 0.76 SIRT2 (0.33) SIRT2KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL21215581 0.75 NPC1 (0.45) KDM4EMAPTLMNAPKMSMN1; SMN2
SCHEMBL21215640 0.74 CYP11B1 (0.47) SIRT2KDM4EMAPTLMNAPKM

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-20190233398-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2019-08-01 — — 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-20190233398-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME CRY1, CRY2, PER2 SIRT2 158/4885KDM4E 2382/4885MAPT 1063/4885

“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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