SCHEMBL17821180

SCHEMBL17821180

NCCCCOc1ccc(Nc2ncc3nnn(-c4ccc(OCCCC(=O)O)cc4)c3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 7/20 0.67
▸ GSK3B P49841 7/20 0.67
▸ AURKA O14965 4/20 0.67
▸ EIF2AK4 Q9P2K8 3/20 0.50
▸ WEE1 P30291 3/20 0.46
▸ SRC P12931 2/20 0.46
▸ MAPK6 Q16659 7/20 0.44

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
SCHEMBL16264862 0.93 GSK3A (0.65) GSK3AGSK3BAURKAEIF2AK4WEE1
SCHEMBL16264840 0.93 GSK3A (0.67) GSK3AGSK3BAURKAEIF2AK4WEE1
SCHEMBL17827717 0.90 GSK3A (0.67) GSK3AGSK3BAURKAEIF2AK4WEE1
SCHEMBL16245670 0.89 GSK3A (0.60) GSK3AGSK3BAURKAEIF2AK4WEE1
Hydrochloric Acid SCHEMBL16245611 0.89 GSK3A (0.66) GSK3AGSK3BAURKAEIF2AK4WEE1
SCHEMBL16245882 0.87 EIF2AK4 (0.60) GSK3AGSK3BAURKAEIF2AK4WEE1
SCHEMBL16245737 0.87 GSK3A (0.58) GSK3AGSK3BAURKAEIF2AK4WEE1
SCHEMBL16245618 0.87 GSK3A (0.57) GSK3AGSK3BAURKAEIF2AK4WEE1
Hydrochloric Acid SCHEMBL17821173 0.87 EIF2AK4 (0.59) GSK3AGSK3BAURKAEIF2AK4WEE1
SCHEMBL18869376 0.86 GSK3A (0.58) GSK3AGSK3BAURKAEIF2AK4MAPK6

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 7 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
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 GSK3A 523/4885GSK3B 482/4885AURKA 288/4885

“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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