Sugi Predict

Sugi Predict / Compounds / SCHEMBL14716084

SCHEMBL14716084

SCHEMBL14716084

Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HPGD P15428 4/20 0.45
▸ CDK6 Q00534 3/20 0.44
▸ PIK3CA P42336 2/20 0.40
▸ MTOR P42345 2/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 3/20 0.39

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
SCHEMBL20246640 0.96 HPGD (0.44) HDAC3HDAC2HPGDCDK6PIK3CA
SCHEMBL14829458 0.89 HPGD (0.46) HDAC3HDAC2HPGDCDK6PIK3CA
SCHEMBL29624095 0.85 HPGD (0.42) HPGDCDK6PIK3CAMTORKCNQ3
SCHEMBL14829626 0.83 HPGD (0.46) HDAC3HDAC2HPGDCDK6PIK3CA
SCHEMBL29623952 0.82 CDK6 (0.41) HDAC3HDAC2HPGDCDK6PIK3CA
SCHEMBL14829721 0.82 HPGD (0.45) HDAC3HDAC2HPGDCDK6PIK3CA
SCHEMBL15688751 0.82 HPGD (0.50) HDAC3HDAC2HPGDCDK6PIK3CA
SCHEMBL29590072 0.82 CDK6 (0.42) HDAC3HDAC2HPGDCDK6PIK3CA
SCHEMBL20749358 0.82 CDK6 (0.42) HDAC3HDAC2HPGDCDK6PIK3CA
SCHEMBL14716359 0.82 CDK6 (0.42) HDAC3HDAC2HPGDCDK6PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116880-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2024-04-11 — — US disclosed
CN-116887833-A Certain chemical entities, compositions and methods 润新生物公司 2023-10-13 — — CN disclosed
EP-4255434-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2023-10-11 — — EP disclosed
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
WO-2022119905-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC (US) 2022-06-09 — — WO disclosed
WO-2022119905-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC (US) 2022-06-09 — — WO 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-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
EP-2747767-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2014-07-02 — — 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
WO-2013032951-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-07 — — WO disclosed
WO-2013032951-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-07 — — WO disclosed
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 — — US disclosed
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 — — US disclosed
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 — — US 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 (5 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-20240116880-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, RB1 HDAC3 1512/4885HDAC2 1804/4885HPGD 553/4885
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HDAC3 2571/4885HDAC2 1643/4885HPGD 1095/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HDAC3 2771/4885HDAC2 1891/4885HPGD 1123/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 HDAC3 1072/4885HDAC2 986/4885HPGD 1616/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HDAC3 2771/4885HDAC2 1891/4885HPGD 1123/4885

“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.