SCHEMBL665152

SCHEMBL665152

COc1cc(C(=O)O)c2nc[nH]c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.55
PARP1 P09874 2/20 0.44
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 4/20 0.42
POLB P06746 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CDC25B P30305 1/20 0.38
SRC P12931 1/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
SLC2A1 P11166 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL22443321 0.81 MMP12 (0.45) IP6K1PARP1LMNAKDM4EALDH1A1
SCHEMBL24399720 0.81 PARP1 (0.64) IP6K1PARP1BCL2MCL1KDM4E
SCHEMBL11408922 0.79 PARP1 (0.49) PARP1BCL2MCL1KDM4EALDH1A1
SCHEMBL31728873 0.79 PARP1 (0.49) PARP1BCL2MCL1KDM4EALDH1A1
SCHEMBL30402405 0.78 IP6K1 (0.59) IP6K1PARP1BCL2MCL1KDM4E
SCHEMBL25374293 0.78 IP6K1 (0.59) IP6K1PARP1BCL2MCL1KDM4E
SCHEMBL31721711 0.76 IP6K1 (0.55) IP6K1DHODH
SCHEMBL665757 0.73 IP6K1 (0.54) IP6K1PARP1BCL2MCL1LMNA
SCHEMBL24399628 0.71 PARP1 (0.59) IP6K1PARP1BCL2MCL1KDM4E
SCHEMBL4153461 0.71 SRC (0.47) IP6K1PARP1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
CN-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 CN disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
EP-2396307-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2011-12-21 EP disclosed
WO-2010093419-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2010-08-19 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 (3 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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC IP6K1 3006/4885PARP1 197/4885BCL2 734/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC IP6K1 3006/4885PARP1 197/4885BCL2 734/4885
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF AHR, ARNT, NOTUM IP6K1 3618/4885PARP1 3448/4885BCL2 2992/4885

“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.