SCHEMBL18861604

SCHEMBL18861604

O=C(Cc1cccc(N2CC(F)(F)C2)c1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cccc(N5CC(F)(F)C5)c4)nn3)C2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 11/20 0.47
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ CDK5 Q00535 3/20 0.37
▸ CDK5R1 Q15078 3/20 0.37
▸ CCNE1 P24864 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK9 P50750 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ WNT3A P56704 1/20 0.36

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
SCHEMBL18861575 0.89 GLS (0.51) GLSKDM4EMEN1USP2ALDH1A1
SCHEMBL18861470 0.89 GLS (0.51) GLSKDM4EMEN1USP2ALDH1A1
SCHEMBL18861595 0.89 GLS (0.51) GLSMAPTCDK5CDK5R1CCNE1
SCHEMBL18861584 0.85 GLS (0.47) GLSKDM4EMEN1USP2ALDH1A1
SCHEMBL18861580 0.85 GLS (0.47) GLSKDM4EMEN1USP2ALDH1A1
SCHEMBL18861602 0.85 GLS (0.50) GLSKDM4EMEN1USP2ALDH1A1
SCHEMBL18861468 0.84 GLS (0.47) GLSCCNE1CDK2CACNA1GCACNA1H
SCHEMBL18860888 0.83 GLS (0.49) GLSCCNE1CDK2WNT3A
SCHEMBL18861441 0.82 GLS (0.55) GLSCDK5CDK5R1CCNE1CDK2
SCHEMBL18861520 0.82 GLS (0.48) GLSCACNA1GCACNA1HCACNA1IWNT3A

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 1/4885KDM4E 800/4885MEN1 1446/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885KDM4E 800/4885MEN1 1446/4885

“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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