SCHEMBL158171

SCHEMBL158171

O=c1[nH]cnc2c[c]ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.58
PDPK1 O15530 2/20 0.58
CA12 O43570 1/20 0.58
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CA9 Q16790 1/20 0.58
TNKS2 Q9H2K2 1/20 0.58
KDM4A O75164 1/20 0.53
KDM4B O94953 1/20 0.53
KDM5C P41229 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM5B Q9UGL1 1/20 0.53
KDM3A Q9Y4C1 1/20 0.53
CHEK1 O14757 2/20 0.51
PIM1 P11309 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RPS6KA3 P51812 1/20 0.51
AKT1 P31749 1/20 0.47
FLT3 P36888 1/20 0.47
PIM3 Q86V86 1/20 0.47

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
SCHEMBL157952 0.87 PARP1 (0.56) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL88525 0.74 PARP1 (1.00) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL19432 0.74
Quinazolinone SCHEMBL8201420 0.72 PARP1 (0.96) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL30408864 0.72 PARP1 (0.96) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL29603643 0.72 PARP1 (0.96) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL10628361 0.72 ALDH1A1 (0.32) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL74789 0.69
SCHEMBL17796245 0.69 KDM4A (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL1886926 0.69 KDM4C (1.00) PARP1PDPK1CA12ALOX15SMN1; SMN2

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 424 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149885-A EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2021-07-23 CN claimed
US-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 US claimed
US-20180305312-A1 EBNA1 INHIBITORS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-25 US claimed
EP-3294705-A1 EBNA1 INHIBITORS AND METHODS USING SAME The Wistar Institute Of Anatomy And Biology (US) 2018-03-21 EP claimed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US claimed
EP-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP claimed
WO-2016183534-A1 EBNA1 INHIBITORS AND METHODS USING SAME THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2016-11-17 WO claimed
WO-2016128905-A1 THIENOPYRROLE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-08-18 WO claimed
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US claimed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US claimed
JP-4791460-B2 2011-10-12 JP claimed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US claimed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US claimed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US claimed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
EP-1773786-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-18 EP claimed
WO-2005123050-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 WO claimed
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY 2005-12-22 US claimed

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

For each of this compound's patents that has machine-readable text (8 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PARP1 2786/4885PDPK1 2713/4885CA12 2345/4885
US-20180305312-A1 EBNA1 INHIBITORS AND METHODS USING SAME MLLT1, EBNA1BP2, MALT1 PARP1 307/4885PDPK1 3830/4885CA12 3021/4885
US-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF ALK, ALKBH5, ALKBH3 PARP1 4050/4885PDPK1 1461/4885CA12 4712/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PARP1 2786/4885PDPK1 2713/4885CA12 2345/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 PARP1 3048/4885PDPK1 944/4885CA12 2382/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 PARP1 2736/4885PDPK1 1668/4885CA12 1593/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PARP1 2786/4885PDPK1 2713/4885CA12 2345/4885
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide F11, TFPI, F12 PARP1 1847/4885PDPK1 3591/4885CA12 1347/4885

“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.