SCHEMBL13965871

SCHEMBL13965871

CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1ccc2ccccc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 4/20 0.33
▸ MAPK9 P45984 3/20 0.33
▸ CCR1 P32246 4/20 0.31
▸ CCR8 P51685 4/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ CCR5 P51681 3/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ MMP8 P22894 1/20 0.31

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
SCHEMBL13965961 0.95 MAPK9 (0.31) MAPK10MAPK9AKT1
SCHEMBL13965949 0.88 KDM4E (0.35) CCR1CCR8KDM4EL3MBTL1
SCHEMBL13965868 0.88 PGR (0.34) KDM4ETSHRALDH1A1L3MBTL1MEN1
SCHEMBL13965909 0.86 KDM4E (0.32) MAPK10MAPK9CCR1CCR8KDM4E
SCHEMBL13965872 0.86 TOP1 (0.33) —
SCHEMBL17228856 0.86 CCR1 (0.33) CCR1CCR8KDM4EMAPTCCR5
SCHEMBL13965941 0.86 RXFP1 (0.32) —
SCHEMBL13965893 0.85 PDK2 (0.35) KDM4E
SCHEMBL13974891 0.85 PGR (0.34) —
SCHEMBL13965873 0.85 PDK2 (0.36) —

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 MAPK10 3511/4885MAPK9 1894/4885CCR1 2767/4885

“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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