SCHEMBL14783318

SCHEMBL14783318

O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.55
▸ KCNQ2 O43526 2/20 0.55
▸ MAPT P10636 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ EGFR P00533 1/20 0.50
▸ ERBB3 P21860 1/20 0.50
▸ STAT3 P40763 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GBA1 P04062 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ HDAC3 O15379 1/20 0.45

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
SCHEMBL29591622 1.00 KCNQ3 (0.55) KCNQ3KCNQ2MAPTSMN1; SMN2RAB9A
SCHEMBL29591524 0.94 MAPT (0.57) KCNQ3KCNQ2MAPTSMN1; SMN2RAB9A
SCHEMBL14784100 0.94 MAPT (0.57) KCNQ3KCNQ2MAPTSMN1; SMN2RAB9A
SCHEMBL29590344 0.93 MTOR (0.51) KCNQ3KCNQ2MAPTRAB9AEGFR
SCHEMBL29592422 0.93 KCNQ3 (0.63) KCNQ3KCNQ2MAPTSMN1; SMN2RAB9A
SCHEMBL14783103 0.93 KCNQ3 (0.63) KCNQ3KCNQ2MAPTSMN1; SMN2RAB9A
SCHEMBL14784050 0.93 MTOR (0.51) KCNQ3KCNQ2MAPTRAB9AEGFR
SCHEMBL29590175 0.92 MAPT (0.52) KCNQ3KCNQ2MAPTSMN1; SMN2RAB9A
SCHEMBL14784012 0.92 MAPT (0.52) KCNQ3KCNQ2MAPTSMN1; SMN2RAB9A
SCHEMBL29591304 0.91 KCNQ3 (0.53) KCNQ3KCNQ2MAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10065932-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2018-09-04 — — US 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
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-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
EP-3332785-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2020-05-06 — — EP disclosed
EP-2755657-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2017-11-29 — — EP disclosed
US-9822081-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2017-11-21 — — 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-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-11 — — US 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-20170183316-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KCNQ3 1219/4885KCNQ2 604/4885MAPT 3567/4885
US-10065932-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS KCNQ3 1219/4885KCNQ2 604/4885MAPT 3567/4885
US-20180134669-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KCNQ3 1219/4885KCNQ2 604/4885MAPT 3567/4885
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KCNQ3 1219/4885KCNQ2 604/4885MAPT 3567/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KCNQ3 1107/4885KCNQ2 529/4885MAPT 3397/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS KCNQ3 1107/4885KCNQ2 529/4885MAPT 3397/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KCNQ3 1107/4885KCNQ2 529/4885MAPT 3397/4885

“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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