SCHEMBL17899351

SCHEMBL17899351

c1cc(-c2cnc3c(ccc4ccc(-c5ccc6sc7ccccc7c6c5)nc43)c2)cc(-c2cnc3c(ccc4ccc(-c5ccc6sc7ccccc7c6c5)nc43)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LIMK1 P53667 1/20 0.34
PIM3 Q86V86 1/20 0.34
ROCK1 Q13464 1/20 0.33
PARP1 P09874 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
GPR3 P46089 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CLK1 P49759 2/20 0.32
MAP3K11 Q16584 1/20 0.32
NTRK1 P04629 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL15582269 0.89 GPR3 (0.41) KDM4ELIMK1PIM3ROCK1PARP1
SCHEMBL15581970 0.88 CYP17A1 (0.39) KDM4ELIMK1PIM3PARP1HSD17B1
SCHEMBL15581959 0.88 PARP1 (0.39) LIMK1PIM3ROCK1PARP1GPR3
SCHEMBL15582127 0.87 LMNA (0.38) KDM4ELIMK1PIM3ROCK1CYP11B1
SCHEMBL15582020 0.87 LMNA (0.38) KDM4ELIMK1PIM3ROCK1CYP11B1
SCHEMBL15582011 0.87 CYP17A1 (0.35) KDM4ELIMK1PIM3ROCK1PARP1
SCHEMBL15582004 0.87 GPR3 (0.37) KDM4ELIMK1PIM3ROCK1PARP1
SCHEMBL15582023 0.87 LIMK1 (0.40) LIMK1PIM3ROCK1PARP1GPR3
SCHEMBL15582027 0.87 LIMK1 (0.40) LIMK1PIM3ROCK1PARP1GPR3
SCHEMBL19767383 0.86 GPR3 (0.41) KDM4ELIMK1PIM3ROCK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-9871206-B2 Compound, organic electroluminescence device material, organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 US disclosed
US-9871206-B2 Compound, organic electroluminescence device material, organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 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-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE CBX8, MLX, HAX1 KDM4E 1912/4885LIMK1 680/4885PIM3 3968/4885

“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.