Sugi Predict

Sugi Predict / Compounds / SCHEMBL14783392

SCHEMBL14783392

SCHEMBL14783392

O=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)Nc1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.50
▸ KCNQ3 O43525 1/20 0.48
▸ KCNQ2 O43526 1/20 0.48
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 4/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ HSD17B14 Q9BPX1 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL29590675 1.00 CNR1 (0.50) CNR1KCNQ3KCNQ2MAPTTP53
SCHEMBL29592235 0.92 CNR1 (0.48) CNR1MAPTTP53SMN1; SMN2FAAH
SCHEMBL14783653 0.92 CNR1 (0.48) CNR1MAPTTP53SMN1; SMN2FAAH
SCHEMBL29590379 0.92 HDAC3 (0.49) CNR1KCNQ3KCNQ2MAPTTP53
SCHEMBL14783504 0.92 HDAC3 (0.49) CNR1KCNQ3KCNQ2MAPTTP53
SCHEMBL29590279 0.92 CNR1 (0.48) CNR1KCNQ3KCNQ2MAPTTP53
SCHEMBL14783168 0.92 CNR1 (0.48) CNR1KCNQ3KCNQ2MAPTTP53
SCHEMBL14783621 0.92 CNR1 (0.56) CNR1KCNQ3KCNQ2MAPTTP53
SCHEMBL29591331 0.92 CNR1 (0.56) CNR1KCNQ3KCNQ2MAPTTP53
SCHEMBL29592553 0.91 KCNQ3 (0.47) CNR1KCNQ3KCNQ2MAPTTP53

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 29 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
CN-104080455-B Certain chemical entities, compositions, and methods 润新生物公司 2018-07-31 — — CN 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
CN-104080455-A Certain chemical entities, compositions, and methods NEUPHARMA INC 2014-10-01 — — CN 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
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
CN-104080455-A Certain chemical entities, compositions, and methods NEUPHARMA INC 2014-10-01 — — CN 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 CNR1 2226/4885KCNQ3 1219/4885KCNQ2 604/4885
US-10065932-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS CNR1 2226/4885KCNQ3 1219/4885KCNQ2 604/4885
US-20180134669-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS CNR1 2226/4885KCNQ3 1219/4885KCNQ2 604/4885
US-20150158826-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS CNR1 2226/4885KCNQ3 1219/4885KCNQ2 604/4885
US-20210040048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS CNR1 2032/4885KCNQ3 1107/4885KCNQ2 529/4885
US-10759766-B2 Certain chemical entities, compositions, and methods BRAF, NRAS, KRAS CNR1 2032/4885KCNQ3 1107/4885KCNQ2 529/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS CNR1 2032/4885KCNQ3 1107/4885KCNQ2 529/4885

“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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