SCHEMBL21392679

SCHEMBL21392679

Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc6c(-c6ccc(-n7c(C)nc8ccccc87)cc6)c5c4)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PIK3CA P42336 3/20 0.44
MTOR P42345 3/20 0.44
PIK3CD O00329 2/20 0.44
FLT3 P36888 2/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MET P08581 1/20 0.37
CYP1A2 P05177 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ALK Q9UM73 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
BMX P51813 1/20 0.35
MAPK10 P53779 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34

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
SCHEMBL10353566 0.91 MAPK1 (0.51) MAPK1HTTPIK3CAMTORPIK3CD
SCHEMBL23022724 0.90 MAPK1 (0.51) MAPK1HTTPIK3CAMTORPIK3CD
SCHEMBL2604835 0.89 MAPK1 (0.55) MAPK1HTTPIK3CAMTORPIK3CD
SCHEMBL2604832 0.89 MAPK1 (0.55) MAPK1HTTFLT3NR1H2NR1H3
SCHEMBL21392473 0.89 PDE10A (0.39) PIK3CAMTORPIK3CDFLT3MET
SCHEMBL20909330 0.89 MAPK1 (0.45) MAPK1HTTPIK3CAMTORPIK3CD
SCHEMBL19309094 0.89 MAPK1 (0.45) MAPK1HTTPIK3CAMTORPIK3CD
SCHEMBL14499566 0.87 MAPK1 (0.55) MAPK1HTTPIK3CAMTORPIK3CD
SCHEMBL10353328 0.87 ESR1 (0.44) PIK3CAMTORPIK3CDFLT3MET
SCHEMBL14499560 0.86 MAPK1 (0.51) MAPK1HTTPIK3CAMTORPIK3CD

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-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885PIK3CA 4652/4885

“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.