SCHEMBL18860891

SCHEMBL18860891

O=C(Cc1cc(N2CC(F)C2)ccn1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cc(N5CC(F)C5)ccn4)nn3)C2)nn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 10/20 0.47
▸ WNT3A P56704 2/20 0.35
▸ CCNE1 P24864 6/20 0.34
▸ CDK2 P24941 6/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CRACR2A Q9BSW2 1/20 0.34

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
SCHEMBL18861611 0.92 GLS (0.48) GLSWNT3ACCNE1CDK2CRACR2A
SCHEMBL18861468 0.88 GLS (0.47) GLSCCNE1CDK2GSK3BCRACR2A
SCHEMBL15725182 0.81 GLS (0.64) GLS
SCHEMBL18861467 0.80 GLS (0.48) GLSCCNE1CDK2GSK3B
SCHEMBL18861425 0.79 GLS (0.54) GLSWNT3ACCNE1CDK2GSK3B
SCHEMBL18861551 0.79 GLS (0.54) GLSWNT3ACCNE1CDK2GSK3B
SCHEMBL18861465 0.78 GLS (0.53) GLSCCNE1CDK2GSK3B
SCHEMBL18860821 0.78 GLS (0.62) GLSCCNE1CDK2GSK3BCRACR2A
SCHEMBL18861444 0.78 GLS (0.57) GLSWNT3ACCNE1CDK2GSK3B
SCHEMBL18860861 0.78 GLS (0.62) GLSCCNE1CDK2GSK3BCRACR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000479-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-06-19 — — US disclosed
US-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2017-05-18 — — 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 (2 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-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885WNT3A 4407/4885CCNE1 2109/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885WNT3A 4407/4885CCNE1 2109/4885

“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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