SCHEMBL18059235

SCHEMBL18059235

Cc1cc(N2C[C@@H](C)N[C@@H](C)C2)c2cc(C#N)c3nc4ccccc4n3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ GAA P10253 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ GLA P06280 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 6/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ NCF1 P14598 2/20 0.35

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
SCHEMBL18059239 0.86 KDM4E (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL19365195 0.86 KDM4E (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL18042600 0.83 KDM4E (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL17254919 0.82 DPP4 (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL18057428 0.82 DPP4 (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL18042581 0.82 CAMKK1 (0.40) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL23160976 0.81 KDM4E (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL18057422 0.81 KDM4E (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL18057418 0.81 KDM4E (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL18042639 0.81 NCF1 (0.58) KDM4EALDH1A1GAAHPGDHSD17B10

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 1957/4885ALDH1A1 1878/4885GAA 1331/4885
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885GAA 1840/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885ALDH1A1 3165/4885GAA 1791/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885GAA 1840/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885ALDH1A1 3165/4885GAA 1791/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885GAA 1840/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885GAA 1840/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885GAA 1840/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 KDM4E 2459/4885ALDH1A1 2282/4885GAA 1444/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885GAA 1840/4885
US-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885GAA 1840/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885ALDH1A1 3165/4885GAA 1791/4885

“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