SCHEMBL634087

SCHEMBL634087

Cc1cccc2cc3c(=O)n(C)cc(C(=O)O)c3nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
CASP1 P29466 5/20 0.41
CASP7 P55210 5/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 4/20 0.41
BRD4 O60885 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
ATM Q13315 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.39
PABPC1 P11940 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 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
SCHEMBL30122318 1.00 KDM4E (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL634012 0.84 KDM4E (0.40) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL635071 0.84 KDM4E (0.52) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL635320 0.84 KMT2A (0.44) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL634695 0.83 BRD4 (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL634696 0.83 BRD4 (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL4103482 0.83 KDM4E (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL632020 0.83 CNR2 (0.39) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL21798677 0.83 LMNA (0.48) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL634900 0.83 KDM4E (0.45) KDM4ECASP1CASP7HSD17B10MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US claimed
CN-115677691-B Preparation method of benzonaphthyridine amide anticancer drug SN28049 and analogues thereof 潍坊富邦药业有限公司 2023-08-29 CN disclosed
CN-115677691-A Preparation method of benzonaphthyridine amide anticancer drug SN28049 and analogues thereof 潍坊富邦药业有限公司 2023-02-03 CN disclosed
US-11046687-B2 Polycyclic amide compound, preparation process and use thereof HEBEI GRANDIOS PHARMA CO., LTD. 2021-06-29 US disclosed
US-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof HEBEI GRANDIOS PHARMA CO., LTD. (CN) 2020-03-12 US disclosed
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US disclosed
US-7504507-B2 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2009-03-17 US disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 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 (4 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-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI KDM4E 744/4885CASP1 87/4885CASP7 21/4885
US-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, UACA KDM4E 3677/4885CASP1 380/4885CASP7 707/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI KDM4E 880/4885CASP1 100/4885CASP7 29/4885
US-11046687-B2 Polycyclic amide compound, preparation process and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UACA, H1-0 KDM4E 3723/4885CASP1 341/4885CASP7 551/4885

“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.