SCHEMBL18861467

SCHEMBL18861467

O=C(Cc1cccc(N2CC(F)C2)n1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cccc(N5CC(F)C5)n4)nn3)C2)nn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 13/20 0.48
▸ KIF18A Q8NI77 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CTPS1 P17812 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1I Q9P0X4 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
SCHEMBL18861466 0.91 GLS (0.49) GLSSMN1; SMN2HRH3GSK3BCTPS1
SCHEMBL18861596 0.89 GLS (0.51) GLSSMN1; SMN2HRH3
SCHEMBL18861484 0.88 GLS (0.48) GLSKIF18AHRH3CCNE1CDK2
SCHEMBL18861483 0.88 GLS (0.47) GLSSMN1; SMN2HRH3CCNE1CDK2
SCHEMBL18861544 0.88 GLS (0.47) GLSSMN1; SMN2HRH3CCNE1CDK2
SCHEMBL18861609 0.84 GLS (0.44) GLSSMN1; SMN2
SCHEMBL18861608 0.84 GLS (0.46) GLSSMN1; SMN2HRH3CCNE1CDK2
SCHEMBL18860893 0.84 GLS (0.56) GLSHRH3
SCHEMBL18861600 0.84 GLS (0.42) GLSHRH3CCNE1CDK2GSK3B
SCHEMBL18861454 0.81 GLS (0.55) GLSSMN1; SMN2CCNE1CDK2GSK3B

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 1/4885KIF18A 2342/4885SMN1; SMN2 3566/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885KIF18A 2342/4885SMN1; SMN2 3566/4885

“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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