SCHEMBL13965949

SCHEMBL13965949

CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1ccc(-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ GSK3B P49841 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ MPI P34949 1/20 0.30
▸ CCR1 P32246 1/20 0.30
▸ CCR8 P51685 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ PDE10A Q9Y233 2/20 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
SCHEMBL13965868 0.93 PGR (0.34) KDM4EL3MBTL1ATMPGRPDE4A
SCHEMBL13965872 0.91 TOP1 (0.33) —
SCHEMBL13965890 0.91 KDM4E (0.34) KDM4EL3MBTL1ATMPDE4APDE4B
SCHEMBL13965941 0.91 RXFP1 (0.32) GSK3BPDE10A
SCHEMBL13965893 0.90 PDK2 (0.35) KDM4E
SCHEMBL13965883 0.88 — —
SCHEMBL13965871 0.88 MAPK10 (0.33) KDM4EL3MBTL1CCR1CCR8
SCHEMBL13965894 0.88 KDM4E (0.32) KDM4EL3MBTL1ATM
SCHEMBL13965959 0.87 TOP1 (0.32) —
SCHEMBL17245623 0.87 KDM4E (0.43) KDM4EL3MBTL1ATMPGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-22 — — US disclosed
US-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-22 — — 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-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device DDT, SUN2, CYP1B1 KDM4E 3176/4885L3MBTL1 2054/4885ATM 2674/4885

“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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