SCHEMBL63831

SCHEMBL63831

C#CCNc1ccc(C(=O)O)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 17/20 0.56
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
P4HA1 P13674 1/20 0.44
MIF P14174 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9823266 0.87 P4HTM (0.42) P4HTMALDH1A1MAPT
SCHEMBL30871624 0.84 HDAC3 (0.41) P4HTMALDH1A1MAPT
SCHEMBL6119180 0.84 MAPK1 (0.53) P4HTMKDM4EL3MBTL1MAPK1ALDH1A1
SCHEMBL18405340 0.81 P4HTM (0.60) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL30112058 0.81 P4HTM (0.60) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL26049197 0.80 P4HTM (0.62) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL13954312 0.79 P4HTM (0.61) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL19252263 0.79 HPGD (0.44) L3MBTL1TDP1
SCHEMBL27787982 0.78 MAPT (0.40) P4HTMALDH1A1MEN1MAPTNFKB1
SCHEMBL22050225 0.76 P4HTM (0.58) P4HTMKDM4EL3MBTL1MAPK1P4HA1

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 14 patents. 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-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 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-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
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed
EP-0667864-B1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LTD (GB) 1997-09-24 EP disclosed
EP-0562734-B1 Anti-tumour compounds containing quinazoline and tetrazole rings ZENECA LTD (GB) 1995-12-20 EP disclosed
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP disclosed
EP-0562734-A1 Anti-tumour compounds containing quinazoline and tetrazole rings ZENECA LIMITED (GB) 1993-09-29 EP disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP 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 (5 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 P4HTM 2354/4885KDM4E 2865/4885L3MBTL1 4338/4885
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 P4HTM 1696/4885KDM4E 263/4885L3MBTL1 3903/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 P4HTM 2919/4885KDM4E 3393/4885L3MBTL1 4617/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P4HTM 1406/4885KDM4E 1889/4885L3MBTL1 4499/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 P4HTM 2919/4885KDM4E 3393/4885L3MBTL1 4617/4885

“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.