Sugi Predict

Sugi Predict / Compounds / SCHEMBL64206

SCHEMBL64206

SCHEMBL64206

COC(=O)c1ccc(NCCN(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ LMNA P02545 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ MAOA P21397 1/20 0.59
▸ CNR1 P21554 1/20 0.59
▸ DRD4 P21917 1/20 0.59
▸ ACHE P22303 1/20 0.59
▸ HRH2 P25021 1/20 0.59
▸ HTR2A P28223 1/20 0.59
▸ HTR2C P28335 1/20 0.59
▸ NTSR1 P30989 1/20 0.59
▸ HRH1 P35367 1/20 0.59
▸ DRD3 P35462 1/20 0.59
▸ SCN1A P35498 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ SCN7A Q01118 1/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ SCN5A Q14524 1/20 0.59

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
SCHEMBL5067501 0.86 LMNA (0.67) POLBLMNAMAPK1CYP1A2MAOA
SCHEMBL7616691 0.83 POLB (0.68) POLBLMNAMAPK1RAB9AKDM4E
SCHEMBL3689477 0.83 LMNA (0.51) POLBLMNAMAPK1CYP1A2MAOA
SCHEMBL4135587 0.83 LMNA (0.51) POLBLMNAMAPK1CYP1A2MAOA
Hydrochloric Acid SCHEMBL5071263 0.81 LMNA (0.52) POLBLMNAMAPK1CYP1A2MAOA
SCHEMBL5925515 0.81 POLB (0.70) POLBLMNAMAPK1CYP1A2MAOA
SCHEMBL7606973 0.81 POLB (0.70) POLBLMNAMAPK1RAB9AKDM4E
SCHEMBL5070260 0.80 ALDH1A1 (0.66) POLBLMNAMAPK1ACHERAB9A
SCHEMBL21659729 0.79 POLB (0.68) POLBLMNAMAPK1RAB9AKDM4E
SCHEMBL5152928 0.79 POLB (0.68) POLBLMNAMAPK1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 — — US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 — — US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 — — US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 — — US disclosed
EP-2013196-B1 DISUBSTITUTED ANILINE COMPOUNDS MERCK SHARP & DOHME (US) 2015-09-16 — — EP disclosed
EP-2013196-B1 DISUBSTITUTED ANILINE COMPOUNDS MERCK SHARP & DOHME (US) 2015-09-16 — — EP disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 — — US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 — — US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 — — US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 — — US disclosed
CN-101611014-A Amidopyrazoles as FGFR inhibitors ASTRAZENECA AB (SE) 2009-12-23 — — CN disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 — — EP disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 — — US disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 — — US disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 — — US disclosed
EP-2013196-A2 DISUBSTITUTED ANILINE COMPOUNDS Merck & Co., Inc. (US) 2009-01-14 — — EP disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
WO-2007127137-A2 DISUBSTITUTED ANILINE COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 — — WO disclosed
WO-2007127137-A2 DISUBSTITUTED ANILINE COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 — — 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 POLB 3678/4885LMNA 2866/4885MAPK1 126/4885
US-20090221669-A1 Disubstituted Aniline Compounds TXNRD2, BRDT, HDAC1 POLB 2819/4885LMNA 1979/4885MAPK1 1383/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 POLB 4299/4885LMNA 3279/4885MAPK1 42/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 POLB 3022/4885LMNA 3115/4885MAPK1 105/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 POLB 3647/4885LMNA 1590/4885MAPK1 310/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 POLB 4299/4885LMNA 3279/4885MAPK1 42/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 POLB 4299/4885LMNA 3279/4885MAPK1 42/4885

“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.