Sugi Predict

Sugi Predict / Compounds / SCHEMBL62859

SCHEMBL62859

SCHEMBL62859

CNC(=O)c1cccc(CCc2cc(N)[nH]n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.48
▸ SLC7A5 Q01650 1/20 0.48
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ ADCY10 Q96PN6 1/20 0.41
▸ PARP1 P09874 3/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ GRK2 P25098 1/20 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
SCHEMBL4010143 0.84 FOLH1 (0.46) DHODHCYP4F2CYP4A11
SCHEMBL4010541 0.82 CCNC (0.40) DHODHSLC7A5CCNCCDK8BRD4
SCHEMBL4010043 0.80 FGFR1 (0.47) CCNCCDK8AURKBPARP1MEN1
SCHEMBL4080494 0.77 YTHDC1 (0.41) DHODHSLC7A5CCNCCDK8CYP4F2
SCHEMBL13844842 0.73 PLK1 (0.64) DHODHSLC7A5HDAC8HDAC6CYP4F2
SCHEMBL5254691 0.73 SLC7A5 (0.57) DHODHSLC7A5CCNCCDK8HDAC8
SCHEMBL3414665 0.73 CYP4F2 (0.66) DHODHSLC7A5CCNCCDK8HDAC8
SCHEMBL64650 0.73 BACE1 (0.49) —
SCHEMBL6388386 0.72 LOXL2 (0.65) DHODHSLC7A5HDAC8HDAC6AURKA
SCHEMBL23513564 0.72 PTGS1 (0.52) AURKBMEN1KMT2A

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 21 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
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
CN-101611014-B Amidopyrazoles as FGFR inhibitors ASTRAZENECA AB 2012-05-30 — — CN 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
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 — — EP disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 — — 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
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 — — CN disclosed
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 — — WO disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 — — EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 — — WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 — — 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 (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 DHODH 379/4885SLC7A5 804/4885CCNC 1599/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 DHODH 1449/4885SLC7A5 1366/4885CCNC 1971/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DHODH 387/4885SLC7A5 1176/4885CCNC 242/4885
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 DHODH 312/4885SLC7A5 1323/4885CCNC 1664/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 DHODH 1449/4885SLC7A5 1366/4885CCNC 1971/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 DHODH 1449/4885SLC7A5 1366/4885CCNC 1971/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 DHODH 2285/4885SLC7A5 3120/4885CCNC 2182/4885

“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.