SCHEMBL13557665

SCHEMBL13557665

CC1(C)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc4sc5ccccc5c4c3)cc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 1/20 0.33
▸ PTPN7 P35236 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN12 Q05209 1/20 0.31
▸ PTPN22 Q9Y2R2 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ TNKS O95271 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ CYP1A2 P05177 1/20 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
SCHEMBL16488240 0.98 PIM3 (0.35) PIM3PTPN7DUSP3PTPN12PTPN22
SCHEMBL16488251 0.98 PIM3 (0.35) PIM3PTPN7DUSP3PTPN12PTPN22
SCHEMBL13827268 0.97 PIM3 (0.36) PIM3PTPN7DUSP3PTPN12PTPN22
SCHEMBL13557657 0.97 GPR3 (0.32) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL13557575 0.95 GPR3 (0.34) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL13827316 0.94 PIM3 (0.34) PIM3PTPN7DUSP3PTPN12PTPN22
SCHEMBL13827310 0.94 PIM3 (0.34) PIM3PTPN7DUSP3PTPN12PTPN22
SCHEMBL13557659 0.94 PIM3 (0.33) PIM3PTPN7DUSP3PTPN12PTPN22
SCHEMBL16488249 0.94 GPR3 (0.33) PIM3PTPN7DUSP3PTPN12PTPN22
SCHEMBL13557581 0.94 GPR3 (0.33) PIM3PTPN7DUSP3PTPN12PTPN22

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-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — US disclosed
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — 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-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, ODC1, TYR PIM3 715/4885PTPN7 4082/4885DUSP3 4627/4885

“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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