SCHEMBL18861609

SCHEMBL18861609

O=C(Cc1cccc(N2CC(F)(F)C2)n1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)C4CC4)nn3)C2)nn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 8/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TYK2 P29597 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ABL1 P00519 3/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ JAK3 P52333 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
SCHEMBL18861544 0.96 GLS (0.47) GLSSMN1; SMN2
SCHEMBL18861483 0.96 GLS (0.47) GLSSMN1; SMN2
SCHEMBL18861608 0.93 GLS (0.46) GLSSMN1; SMN2
SCHEMBL18861600 0.92 GLS (0.42) GLS
SCHEMBL18860893 0.92 GLS (0.56) GLS
SCHEMBL17115623 0.86 GLS (0.39) GLS
SCHEMBL17115625 0.86 GLS (0.39) GLS
SCHEMBL18861596 0.85 GLS (0.51) GLSSMN1; SMN2
SCHEMBL18861467 0.84 GLS (0.48) GLSSMN1; SMN2
SCHEMBL18861607 0.84 GLS (0.39) GLS

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 1/4885SMN1; SMN2 3566/4885TYK2 3474/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885SMN1; SMN2 3566/4885TYK2 3474/4885

“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.

Send feedback