SCHEMBL82717

SCHEMBL82717

C#CCNc1ccc(C)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA2 P00918 2/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
CA4 P22748 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36

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
SCHEMBL30119647 1.00 CA12 (0.43) CA12CA9CA2MAPTCA1
SCHEMBL3632606 0.78 ADRA2A (0.50) MAPTNPSR1SLC22A12HDAC1HDAC6
SCHEMBL19252427 0.77 AR (0.46) CA12CA9CA2MAPTCA1
SCHEMBL31363149 0.77 KMT2A (0.49) MAPTNPSR1SLC22A12TSHR
SCHEMBL19251951 0.77 CA2 (0.47) CA12CA9CA2MAPTCA1
SCHEMBL31279086 0.77 CA2 (0.47) CA12CA9CA2MAPTCA1
SCHEMBL22278995 0.76 NPSR1 (0.38) NPSR1SLC22A12CYP1A2CYP2E1CYP2A6
SCHEMBL12697198 0.74 RRM2 (0.46) MAPTNPSR1SLC22A12HDAC1HDAC6
SCHEMBL63831 0.74 P4HTM (0.56) MAPTCYP1A2TSHR
SCHEMBL31104501 0.74 CA12 (0.41) CA12CA9CA2MAPTCA1

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-20220213062-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2022-07-07 US disclosed
US-11339141-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210002252-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2021-01-07 US disclosed
US-10640485-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2020-05-05 US disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2019-04-25 US disclosed
EP-3416638-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2018-12-26 EP disclosed
US-10138219-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS (US) 2018-11-27 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 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-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
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-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 US disclosed
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 US 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
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

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

For each of this compound's patents that has machine-readable text (11 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-11339141-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CA12 3754/4885CA9 3772/4885CA2 3501/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 CA12 200/4885CA9 109/4885CA2 1351/4885
US-20220213062-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CA12 3754/4885CA9 3772/4885CA2 3501/4885
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CA12 3754/4885CA9 3772/4885CA2 3501/4885
US-20100273811-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 CA12 2334/4885CA9 1980/4885CA2 3038/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA12 612/4885CA9 260/4885CA2 1687/4885
US-10640485-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CA12 3754/4885CA9 3772/4885CA2 3501/4885
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 CA12 2334/4885CA9 1980/4885CA2 3038/4885
US-20210002252-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CA12 3754/4885CA9 3772/4885CA2 3501/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CA12 608/4885CA9 629/4885CA2 2110/4885
US-10138219-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CA12 3754/4885CA9 3772/4885CA2 3501/4885

“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.