SCHEMBL17532777

SCHEMBL17532777

Cc1cc2c(ccc3cc(C)nc(C)c32)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ IL5 P05113 1/20 0.35
▸ UHRF1 Q96T88 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ DYRK1A Q13627 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL17532790 0.87 CYP1A2 (0.44) CYP1A2CYP2A6KDM4EMAPTLMNA
SCHEMBL17532780 0.79 KDM4E (0.40) CYP1A2KDM4EMAPTLMNAHTT
SCHEMBL17532793 0.77 KDM4E (0.42) CYP1A2CYP2A6KDM4EMAPTLMNA
SCHEMBL17532785 0.76 CYP1A2 (0.54) CYP1A2CYP2A6KDM4EMAPTLMNA
SCHEMBL17532779 0.74 CYP1A2 (0.42) CYP1A2CYP2A6KDM4EMAPTLMNA
SCHEMBL17532735 0.73 KDM4E (0.50) CYP1A2CYP2A6KDM4EMAPTLMNA
SCHEMBL17532783 0.73 TOP2A (0.38) CYP2A6KDM4EMAPTLMNAHTT
SCHEMBL17532775 0.73 CYP2A6 (0.40) CYP1A2CYP2A6KDM4EMAPTLMNA
SCHEMBL17532760 0.71 PDPK1 (0.49) CYP1A2CYP2A6KDM4EMAPTLMNA
SCHEMBL18266952 0.71 CYP2A6 (0.50) CYP1A2CYP2A6CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 — — US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 — — US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 — — 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 CYP1A2 978/4885CYP2A6 3145/4885KDM4E 995/4885

“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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