SCHEMBL18861441

SCHEMBL18861441

Nc1cccc(CC(=O)Nc2ccc([C@H]3CCC[C@H](c4ccc(NC(=O)Cc5cccc(N)c5)nn4)C3)nn2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 12/20 0.55
▸ ROCK1 Q13464 1/20 0.43
▸ CDK2 P24941 6/20 0.42
▸ CDK5 Q00535 5/20 0.42
▸ CCNE1 P24864 4/20 0.42
▸ CDK5R1 Q15078 3/20 0.42
▸ CDK9 P50750 1/20 0.41
▸ CCNA2 P20248 2/20 0.40
▸ CCNA1 P78396 2/20 0.40

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
SCHEMBL18861603 0.89 GLS (0.55) GLSCDK2CDK5CCNE1CDK5R1
SCHEMBL18861578 0.87 GLS (0.55) GLSCDK2CDK5CCNE1CDK5R1
SCHEMBL18860836 0.87 GLS (0.55) GLS
SCHEMBL18861419 0.87 GLS (0.58) GLSCDK2CDK5CCNE1CDK5R1
SCHEMBL18861586 0.86 GLS (0.60) GLSCDK2CDK5CCNE1CDK5R1
SCHEMBL18860812 0.86 GLS (0.62) GLSCDK2CDK5CCNE1CDK5R1
SCHEMBL18861379 0.86 GLS (0.62) GLSCDK2CDK5CCNE1CDK5R1
SCHEMBL18860822 0.86 GLS (0.62) GLSCDK2CDK5CCNE1CDK5R1
SCHEMBL18861503 0.86 GLS (0.62) GLSCDK2CDK5CCNE1CDK5R1
SCHEMBL18861575 0.85 GLS (0.51) GLSCDK2CDK5CCNE1CDK5R1

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 1/4885ROCK1 3002/4885CDK2 711/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885ROCK1 3002/4885CDK2 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.

Send feedback