SCHEMBL17827716

SCHEMBL17827716

COC(=O)COc1ccc(Nc2nc(Cl)ncc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.57
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ GFER P55789 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL16012129 0.88 SYK (0.44) SYKMAPTJAK2POLBMEN1
SCHEMBL18869373 0.85 SYK (0.56) SYKMAPTGAATP53PTGS2
SCHEMBL15147773 0.82 MAPT (0.53) SYKMAPTGAAJAK2POLB
SCHEMBL16245594 0.82 PIN1 (0.60) SYKMAPTGAATP53PTGS2
SCHEMBL16012041 0.81 SYK (0.44) SYKJAK2MEN1KMT2AJAK3
SCHEMBL16264934 0.81 RPS6KA3 (0.41) SYKPOLBMEN1KMT2AL3MBTL1
SCHEMBL16245559 0.80 CYSLTR2 (0.44) SYKMAPTALDH1A1KDM4E
SCHEMBL18869374 0.80 JAK2 (0.44) MAPTGAAJAK2MEN1KMT2A
SCHEMBL16245555 0.79 P2RX3 (0.44) SYKMAPTALDH1A1KDM4E
SCHEMBL16246107 0.78 MEN1 (0.41) SYKMAPTGAAJAK2MEN1

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
US-9861635-B2 Macrocycles as kinase inhibitors MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
EP-2994471-B1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-05-17 — — EP disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — 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-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS EIF2AK4, CDK2, CDK1 SYK 2062/4885MAPT 4608/4885GAA 2313/4885

“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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