Sugi Predict

Sugi Predict / Compounds / SCHEMBL14783103

SCHEMBL14783103

SCHEMBL14783103

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 3/20 0.63
▸ KCNQ2 O43526 3/20 0.63
▸ LMNA P02545 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ STAT3 P40763 1/20 0.45
▸ DGAT1 O75907 1/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CDK6 Q00534 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 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
SCHEMBL29592422 1.00 KCNQ3 (0.63) KCNQ3KCNQ2LMNATSHRMAPT
SCHEMBL29591294 0.93 KCNQ3 (0.54) KCNQ3KCNQ2LMNAMAPTSMN1; SMN2
SCHEMBL14783014 0.93 KCNQ3 (0.54) KCNQ3KCNQ2LMNAMAPTSMN1; SMN2
SCHEMBL14783318 0.93 KCNQ3 (0.55) KCNQ3KCNQ2LMNAMAPTSMN1; SMN2
SCHEMBL29591622 0.93 KCNQ3 (0.55) KCNQ3KCNQ2LMNAMAPTSMN1; SMN2
SCHEMBL29591304 0.92 KCNQ3 (0.53) KCNQ3KCNQ2LMNATSHRMAPT
SCHEMBL14783922 0.92 KCNQ3 (0.53) KCNQ3KCNQ2LMNATSHRMAPT
SCHEMBL14784100 0.92 MAPT (0.57) KCNQ3KCNQ2LMNATSHRMAPT
SCHEMBL29591524 0.92 MAPT (0.57) KCNQ3KCNQ2LMNATSHRMAPT
SCHEMBL14783011 0.92 MTOR (0.52) KCNQ3KCNQ2DGAT1CDK6MTOR

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 604/4885LMNA 1598/4885
US-10065932-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS KCNQ3 1219/4885KCNQ2 604/4885LMNA 1598/4885
US-20180134669-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KCNQ3 1219/4885KCNQ2 604/4885LMNA 1598/4885
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KCNQ3 1219/4885KCNQ2 604/4885LMNA 1598/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KCNQ3 1107/4885KCNQ2 529/4885LMNA 1732/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS KCNQ3 1107/4885KCNQ2 529/4885LMNA 1732/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS KCNQ3 1107/4885KCNQ2 529/4885LMNA 1732/4885

“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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