SCHEMBL14783172

SCHEMBL14783172

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ EPHX2 P34913 2/20 0.47
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ EGFR P00533 2/20 0.44
▸ KDR P35968 1/20 0.44
▸ BRAF P15056 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL29590391 1.00 MEN1 (0.47) MEN1KMT2ACNR1EPHX2MAPT
SCHEMBL29590667 0.95 CNR1 (0.51) MEN1KMT2ACNR1EPHX2MAPT
SCHEMBL14783391 0.95 CNR1 (0.51) MEN1KMT2ACNR1EPHX2MAPT
SCHEMBL14783150 0.92 RAF1 (0.53) EPHX2KDM4EBRAFRAF1
SCHEMBL29590867 0.92 RAF1 (0.53) EPHX2KDM4EBRAFRAF1
SCHEMBL29590409 0.92 MAPT (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL14783762 0.92 MAPT (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16786677 0.89 MEN1 (0.45) MEN1KMT2ACNR1MAPTKDM4E
SCHEMBL29590362 0.88 CNR1 (0.49) CNR1MAPTRAB9ATRPV1NPC1
SCHEMBL14783386 0.88 CNR1 (0.49) CNR1MAPTRAB9ATRPV1NPC1

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
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2022-08-11 — — US claimed
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-02-11 — — US claimed
US-10759766-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-01 — — US claimed
US-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-02-20 — — US claimed
US-10065932-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2018-09-04 — — US claimed
CN-104080455-B Certain chemical entities, compositions, and methods 润新生物公司 2018-07-31 — — CN claimed
US-20180134669-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-05-17 — — US claimed
EP-2755657-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2017-11-29 — — EP claimed
US-9518029-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2016-12-13 — — US claimed
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-11 — — US claimed
CN-104080455-A Certain chemical entities, compositions, and methods NEUPHARMA INC 2014-10-01 — — CN claimed
EP-2755657-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2014-07-23 — — EP claimed
WO-2013040515-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-21 — — WO claimed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10065932-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS MEN1 443/4885KMT2A 450/4885CNR1 2226/4885
US-20180134669-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS MEN1 443/4885KMT2A 450/4885CNR1 2226/4885
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS MEN1 443/4885KMT2A 450/4885CNR1 2226/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS MEN1 358/4885KMT2A 491/4885CNR1 2032/4885
US-20200055828-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS MEN1 358/4885KMT2A 491/4885CNR1 2032/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS MEN1 358/4885KMT2A 491/4885CNR1 2032/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS MEN1 358/4885KMT2A 491/4885CNR1 2032/4885

“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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