SCHEMBL18059239

SCHEMBL18059239

C[C@@H]1CN(c2ccnc3c2cc(C#N)c2nc4ccccc4n23)C[C@H](C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HIF1A Q16665 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ GLA P06280 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CASP1 P29466 3/20 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
SCHEMBL19365195 1.00 KDM4E (0.41) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL18059231 0.87 KDM4E (0.36) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL18059235 0.86 KDM4E (0.43) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL17254966 0.82 CAMKK1 (0.38) KDM4EHSD17B10HPGDL3MBTL1CYP2C9
SCHEMBL23161470 0.81 HRH1 (0.40) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL18057438 0.81 HRH1 (0.40) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL17254934 0.81 HRH1 (0.40) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL17254932 0.81 DPP4 (0.47) HIF1AMAPK1ALOX12CYP3A4
SCHEMBL17255071 0.79 FGFR1 (0.42) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL18057377 0.79 TSHR (0.39) KDM4EHSD17B10ALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-10975076-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2021-04-13 — — US disclosed
US-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-04-01 — — US disclosed
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2020-11-19 — — US disclosed
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-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — US disclosed
US-9951066-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2018-04-24 — — 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
EP-3219716-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM Pimera, Inc. (US) 2017-09-20 — — EP disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — 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 (12 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-10975076-B2 Compositions, uses and methods for making them BAX, CASP3, CASP7 KDM4E 1957/4885HSD17B10 1104/4885ALDH1A1 1878/4885
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 KDM4E 2839/4885HSD17B10 1289/4885ALDH1A1 3544/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885HSD17B10 1141/4885ALDH1A1 3165/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HSD17B10 1289/4885ALDH1A1 3544/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885HSD17B10 1141/4885ALDH1A1 3165/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HSD17B10 1289/4885ALDH1A1 3544/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HSD17B10 1289/4885ALDH1A1 3544/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HSD17B10 1289/4885ALDH1A1 3544/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 KDM4E 2459/4885HSD17B10 1404/4885ALDH1A1 2282/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HSD17B10 1289/4885ALDH1A1 3544/4885
US-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HSD17B10 1289/4885ALDH1A1 3544/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885HSD17B10 1141/4885ALDH1A1 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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