SCHEMBL18057501

SCHEMBL18057501

CNc1c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c2nc3ccccc3n2c2ccncc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.37
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ZAP70 P43403 1/20 0.31

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
SCHEMBL18057494 1.00 REN (0.37) RENKDM4EALDH1A1HPGDGAA
SCHEMBL18057496 0.86 KDM4E (0.34) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL18057510 0.86 KDM4E (0.34) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL18057505 0.85 REN (0.36) RENKDM4EALDH1A1HPGDGAA
SCHEMBL18057541 0.85 REN (0.36) RENKDM4EALDH1A1HPGDGAA
SCHEMBL18057548 0.84 KDM4E (0.35) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL18057524 0.84 KDM4E (0.35) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL21466266 0.82 KDM4E (0.33) RENKDM4EALDH1A1GAACASP1
SCHEMBL18057534 0.82 PARP1 (0.40) RENKDM4EKMT2ANPSR1
SCHEMBL19636468 0.80 PARP1 (0.31) —

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745403-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-08-18 — — US disclosed
US-10590134-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-03-17 — — US disclosed
US-10442801-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2019-10-15 — — US disclosed
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2018-03-22 — — US disclosed
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2017-11-23 — — US disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — 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 (6 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-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 REN 1520/4885KDM4E 2323/4885ALDH1A1 3165/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 REN 1847/4885KDM4E 2839/4885ALDH1A1 3544/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 REN 1520/4885KDM4E 2323/4885ALDH1A1 3165/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 REN 1847/4885KDM4E 2839/4885ALDH1A1 3544/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 REN 1847/4885KDM4E 2839/4885ALDH1A1 3544/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 REN 1520/4885KDM4E 2323/4885ALDH1A1 3165/4885

“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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