SCHEMBL18861468

SCHEMBL18861468

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 10/20 0.47
▸ CCNE1 P24864 4/20 0.34
▸ CDK2 P24941 4/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CRACR2A Q9BSW2 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.33

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
SCHEMBL18860891 0.88 GLS (0.47) GLSCCNE1CDK2GSK3BCRACR2A
SCHEMBL18860888 0.88 GLS (0.49) GLSCCNE1CDK2
SCHEMBL18861611 0.87 GLS (0.48) GLSCCNE1CDK2CRACR2A
SCHEMBL18861604 0.84 GLS (0.47) GLSCCNE1CDK2CACNA1GCACNA1H
SCHEMBL18860890 0.84 GLS (0.58) GLSCCNE1CDK2
SCHEMBL18861595 0.84 GLS (0.51) GLSCCNE1CDK2CACNA1GCACNA1H
SCHEMBL15725181 0.81 GLS (0.63) GLS
SCHEMBL18861483 0.81 GLS (0.47) GLSCCNE1CDK2GSK3B
SCHEMBL18861544 0.81 GLS (0.47) GLSCCNE1CDK2GSK3B
SCHEMBL18860892 0.80 GLS (0.47) GLSCCNE1CDK2

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 1/4885CCNE1 2109/4885CDK2 711/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885CCNE1 2109/4885CDK2 711/4885

“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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