SCHEMBL2880089

SCHEMBL2880089

c1ccc2c(c1)ccn2-c1n[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ PRKACG P22612 1/20 0.42
▸ PRKACB P22694 1/20 0.42
▸ PRKCH P24723 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCZ Q05513 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ PRKD1 Q15139 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ BIRC5 O15392 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40

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
SCHEMBL16720663 0.83 KDM4E (0.36) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL30801175 0.80 GRM4 (0.41) KDM4EGAAPDPK1CYP3A4ITK
SCHEMBL30801218 0.79 ITK (0.48) KDM4EALDH1A1ITKHPGDMAPK10
SCHEMBL30801295 0.79 ITK (0.51) KDM4EITKMAPK10CDK2SMO
SCHEMBL30801192 0.73 CTNNB1 (0.38) ITKIDO1MAPK10CDK2FLT1
SCHEMBL311147 0.73 MAPK1 (0.52) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL381385 0.72 KDM4E (0.50) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL7372110 0.69 PRKD3 (0.44) PRKD3PRKCGPRKCBPRKCAPRKACA
Carbazole SCHEMBL18059782 0.69 BIRC5 (0.53) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL16665794 0.68 CDC7 (0.43) PRKD3PRKCGPRKCBPRKCAPRKACA

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
CN-113264942-A Organic electroluminescent compounds and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2021-08-17 — — CN disclosed
US-20100168097-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
EP-1898928-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 — — EP disclosed
WO-2007002458-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 — — WO 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-20100168097-A1 Non-Nucleoside Reverse Transcriptase Inhibitors RNGTT, POLR1E, RTF1 PRKD3 2875/4885PRKCG 4465/4885PRKCB 4504/4885

“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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