SCHEMBL17016175

SCHEMBL17016175

O=C(c1cccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CNR2 P34972 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
GMNN O75496 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
CNR1 P21554 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL17015230 0.96 CLK1 (0.40) ROCK2PIM1PIM3CLK1DYRK1A
SCHEMBL17016183 0.94 CNR2 (0.38) ROCK2PIM1PIM3CLK1DYRK1A
SCHEMBL17015226 0.94 CNR2 (0.38) ROCK2PIM1PIM3CLK1DYRK1A
SCHEMBL17016181 0.91 RORC (0.41) ROCK2PIM1PIM3CNR2LMNA
SCHEMBL17015697 0.91 CLK1 (0.36) ROCK2PIM1PIM3CLK1DYRK1A
SCHEMBL17016298 0.90 SRC (0.39) ROCK2PIM1PIM3CLK1DYRK1A
SCHEMBL17015779 0.90 CLK1 (0.36) ROCK2PIM1PIM3CLK1DYRK1A
SCHEMBL17015698 0.89 MAPK1 (0.36) CNR2LMNATSHRHPGDGMNN
SCHEMBL17016254 0.88 CLK1 (0.40) ROCK2PIM1PIM3CLK1DYRK1A
SCHEMBL17015774 0.87 CNR2 (0.35) CNR2LMNATSHRHPGDGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 US disclosed
US-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 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-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME INMT, IDO1, IDO2 ROCK2 2518/4885PIM1 840/4885PIM3 1191/4885

“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.