SCHEMBL16245577

SCHEMBL16245577

NCCCCn1cc(Nc2ncc3nnn(-c4ccc(CCBr)cc4)c3n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 4/20 0.55
▸ GSK3A P49840 6/20 0.48
▸ GSK3B P49841 6/20 0.48
▸ AURKA O14965 4/20 0.48
▸ MAPK6 Q16659 2/20 0.45
▸ JAK2 O60674 8/20 0.41
▸ HDAC6 Q9UBN7 8/20 0.41
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL16245547 0.85 EIF2AK4 (0.64) EIF2AK4GSK3AGSK3BAURKAMAPK6
SCHEMBL17827732 0.82 EIF2AK4 (0.35) EIF2AK4JAK2HDAC6JAK1TYK2
SCHEMBL17821168 0.82 EIF2AK4 (0.50) EIF2AK4GSK3AGSK3BAURKAMAPK6
SCHEMBL17827726 0.80 GSK3A (0.58) EIF2AK4GSK3AGSK3BAURKAMAPK6
SCHEMBL17821181 0.79 GSK3A (0.66) EIF2AK4GSK3AGSK3BAURKAMAPK6
Hydrochloric Acid SCHEMBL16245880 0.79 GSK3A (0.57) EIF2AK4GSK3AGSK3BAURKAMAPK6
SCHEMBL16245597 0.77 EIF2AK4 (0.60) EIF2AK4GSK3AGSK3BAURKAMAPK6
SCHEMBL16245882 0.77 EIF2AK4 (0.60) EIF2AK4GSK3AGSK3BAURKAMAPK6
SCHEMBL16264890 0.77 EIF2AK4 (0.60) EIF2AK4GSK3AGSK3BAURKAMAPK6
Hydrochloric Acid SCHEMBL17821173 0.77 EIF2AK4 (0.59) EIF2AK4GSK3AGSK3BAURKAMAPK6

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 8 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-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
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
EP-2994471-A1 MACROCYCLES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2016-03-16 — — EP disclosed
WO-2014180524-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-11-13 — — WO disclosed
WO-2014180524-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-11-13 — — 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-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS EIF2AK4, CDK2, CDK1 EIF2AK4 1/4885GSK3A 523/4885GSK3B 482/4885

“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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