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Sugi Predict / Compounds / SCHEMBL14784010

SCHEMBL14784010

SCHEMBL14784010

O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 7/20 0.57
▸ HDAC2 Q92769 6/20 0.57
▸ MAPT P10636 1/20 0.48
▸ HTR1F P30939 1/20 0.44
▸ KCNQ3 O43525 2/20 0.44
▸ KCNQ2 O43526 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ CTNNB1 P35222 2/20 0.44
▸ TCF7L2 Q9NQB0 2/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ MAPK7 Q13164 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ CDK6 Q00534 1/20 0.42
▸ HTR2C P28335 1/20 0.42

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
SCHEMBL29590180 1.00 HDAC3 (0.57) HDAC3HDAC2MAPTHTR1FKCNQ3
SCHEMBL29591540 0.93 HDAC3 (0.53) HDAC3HDAC2MAPTHDAC1CTNNB1
SCHEMBL14783300 0.93 HDAC3 (0.55) HDAC3HDAC2MAPTKCNQ3KCNQ2
SCHEMBL14783333 0.93 HDAC3 (0.53) HDAC3HDAC2MAPTHDAC1CTNNB1
SCHEMBL29590918 0.93 HDAC3 (0.55) HDAC3HDAC2MAPTKCNQ3KCNQ2
SCHEMBL29590491 0.92 HDAC3 (0.56) HDAC3HDAC2MAPTKCNQ3KCNQ2
SCHEMBL14783789 0.92 HDAC3 (0.56) HDAC3HDAC2MAPTKCNQ3KCNQ2
SCHEMBL29591622 0.90 KCNQ3 (0.55) HDAC3HDAC2MAPTHTR1FKCNQ3
SCHEMBL14783318 0.90 KCNQ3 (0.55) HDAC3HDAC2MAPTHTR1FKCNQ3
SCHEMBL29591582 0.89 HDAC3 (0.52) HDAC3HDAC2KCNQ3KCNQ2HDAC1

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 HDAC3 2571/4885HDAC2 1643/4885MAPT 3567/4885
US-10065932-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS HDAC3 2571/4885HDAC2 1643/4885MAPT 3567/4885
US-20180134669-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HDAC3 2571/4885HDAC2 1643/4885MAPT 3567/4885
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HDAC3 2571/4885HDAC2 1643/4885MAPT 3567/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HDAC3 2771/4885HDAC2 1891/4885MAPT 3397/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS HDAC3 2771/4885HDAC2 1891/4885MAPT 3397/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HDAC3 2771/4885HDAC2 1891/4885MAPT 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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