SCHEMBL14783391

SCHEMBL14783391

O=C(Nc1ccc(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ KDR P35968 5/20 0.47
▸ EGFR P00533 2/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ AURKB Q96GD4 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CDK8 P49336 3/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ RET P07949 1/20 0.46

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
SCHEMBL29590667 1.00 CNR1 (0.51) CNR1EPHX2KDREGFRMAPT
SCHEMBL14783172 0.95 MEN1 (0.47) CNR1EPHX2KDREGFRMAPT
SCHEMBL29590391 0.95 MEN1 (0.47) CNR1EPHX2KDREGFRMAPT
SCHEMBL15689339 0.92 RAF1 (0.52) EPHX2MAPTBRAF
SCHEMBL15688915 0.92 IDH1 (0.47) EPHX2KDRMAPTMEN1KMT2A
SCHEMBL16786677 0.90 MEN1 (0.45) CNR1KDREGFRMAPTMEN1
SCHEMBL14783232 0.88 CNR1 (0.53) CNR1MAPTMEN1KMT2ARAB9A
SCHEMBL29590867 0.88 RAF1 (0.53) EPHX2KDM4EBRAF
SCHEMBL14783150 0.88 RAF1 (0.53) EPHX2KDM4EBRAF
SCHEMBL29590409 0.88 MAPT (0.54) KDRMAPTMEN1KMT2APDGFRB

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2022-08-11 — — US disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-02-11 — — US disclosed
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-02-11 — — US disclosed
US-10759766-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-01 — — US disclosed
US-10759766-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-01 — — US disclosed
EP-3332785-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2020-05-06 — — EP disclosed
EP-3332785-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2020-05-06 — — EP disclosed
US-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-02-20 — — US disclosed
US-20170183316-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-06-29 — — US disclosed
US-20170183316-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-06-29 — — US disclosed
US-9518029-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2016-12-13 — — US disclosed
US-9518029-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2016-12-13 — — US disclosed
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-11 — — US disclosed
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-11 — — US disclosed
CN-104080455-A Certain chemical entities, compositions, and methods NEUPHARMA INC 2014-10-01 — — CN disclosed
EP-2755657-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2014-07-23 — — EP disclosed
WO-2013040515-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-21 — — WO disclosed
WO-2013040515-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-21 — — WO 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-20170183316-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS CNR1 2226/4885EPHX2 811/4885KDR 1337/4885
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS CNR1 2226/4885EPHX2 811/4885KDR 1337/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS CNR1 2032/4885EPHX2 904/4885KDR 1385/4885
US-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS CNR1 2032/4885EPHX2 904/4885KDR 1385/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS CNR1 2032/4885EPHX2 904/4885KDR 1385/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS CNR1 2032/4885EPHX2 904/4885KDR 1385/4885

“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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