SCHEMBL19269876

SCHEMBL19269876

Cc1c(-c2cncnc2)cc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1-c1cncnc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGER4 P35408 1/20 0.32
▸ RAC2 P15153 1/20 0.32
▸ RAC3 P60763 1/20 0.32
▸ CDC42 P60953 1/20 0.32
▸ RAC1 P63000 1/20 0.32
▸ NPY5R Q15761 2/20 0.32
▸ AKR1C4 P17516 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ APP P05067 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
SCHEMBL19270861 0.96 KDM4E (0.34) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL19269378 0.93 KDM4E (0.32) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL19269527 0.93 KDM4E (0.32) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL19269220 0.91 ATM (0.33) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL19269044 0.89 ATM (0.39) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL19269536 0.89 ATM (0.41) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL19269825 0.89 ATM (0.41) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL20413203 0.89 PDE3B (0.34) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL19270868 0.89 KDM4E (0.35) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL19269103 0.87 ATM (0.35) ATMKDM1AAPP

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-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 — — 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-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 KDM4E 2858/4885ATM 1981/4885L3MBTL1 24/4885

“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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