SCHEMBL17827733

SCHEMBL17827733

CC(C)(C)OC(=O)NCCCCn1cc(Nc2cnc3nnn(-c4ccc(CCBr)cc4)c3n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ BRD4 O60885 7/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ STK17B O94768 1/20 0.32
▸ STK17A Q9UEE5 1/20 0.32
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL17821168 0.86 EIF2AK4 (0.50) JAK3BTKEIF2AK4JAK2HDAC6
SCHEMBL17827728 0.82 JAK3 (0.36) JAK3BTKHDAC3HDAC8NCOR2
SCHEMBL17827732 0.82 EIF2AK4 (0.35) JAK3HDAC3HDAC8EIF2AK4JAK2
SCHEMBL17821175 0.74 EIF2AK4 (0.56) JAK3BTKHDAC3HDAC8EIF2AK4
SCHEMBL17827727 0.74 STK17B (0.41) CCNCCDK8ALDH1A1BRD4STK17B
SCHEMBL16245534 0.71 GSK3A (0.57) JAK3BTKHDAC3HDAC8EIF2AK4
SCHEMBL16246069 0.70 EIF2AK4 (0.51) JAK3EIF2AK4ALDH1A1JAK2HDAC6
SCHEMBL16264861 0.69 EIF2AK4 (0.55) JAK3BTKHDAC3HDAC8EIF2AK4
SCHEMBL17821176 0.69 EIF2AK4 (0.55) JAK3BTKHDAC3HDAC8EIF2AK4
SCHEMBL18869225 0.69 EIF2AK4 (0.51) JAK3BTKEIF2AK4JAK2HDAC6

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-9861635-B2 Macrocycles as kinase inhibitors MERCK PATENT GMBH (DE) 2018-01-09 — — US 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 JAK3 747/4885BTK 269/4885CCNC 290/4885

“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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