SCHEMBL14784012

SCHEMBL14784012

O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ HTT P42858 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ KCNQ3 O43525 1/20 0.52
▸ KCNQ2 O43526 1/20 0.52
▸ TP53 P04637 4/20 0.49
▸ MAPK1 P28482 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ PIK3CD O00329 3/20 0.46
▸ PIK3CA P42336 3/20 0.46
▸ PIK3CB P42338 3/20 0.46

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
SCHEMBL29590175 1.00 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL15689095 0.93 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14784329 0.93 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL29590232 0.93 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14783103 0.92 KCNQ3 (0.63) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14783318 0.92 KCNQ3 (0.55) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL29592422 0.92 KCNQ3 (0.63) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL29591622 0.92 KCNQ3 (0.55) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL14783278 0.91 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL29590717 0.91 PIK3CA (0.48) NPC1RAB9AKCNQ3KCNQ2PIK3CD

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 41 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-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
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
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-11 — — 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
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

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

For each of this compound's patents that has machine-readable text (6 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 MAPT 3567/4885SMN1; SMN2 4764/4885NPC1 4182/4885
US-20180134669-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS MAPT 3567/4885SMN1; SMN2 4764/4885NPC1 4182/4885
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS MAPT 3567/4885SMN1; SMN2 4764/4885NPC1 4182/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS MAPT 3397/4885SMN1; SMN2 4761/4885NPC1 4257/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS MAPT 3397/4885SMN1; SMN2 4761/4885NPC1 4257/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS MAPT 3397/4885SMN1; SMN2 4761/4885NPC1 4257/4885

“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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