SCHEMBL832168

SCHEMBL832168

O=C1NCc2cccc3cccc1c23

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 1.00
CA12 O43570 1/20 0.62
CA9 Q16790 1/20 0.62
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
TYMS P04818 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
AURKA O14965 4/20 0.48
KDR P35968 3/20 0.48
CLK4 Q9HAZ1 3/20 0.46
DYRK1B Q9Y463 3/20 0.46
PIM1 P11309 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK5 Q00535 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46
LRRK2 Q5S007 1/20 0.46

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
SCHEMBL29688203 1.00 PARP1 (1.00) PARP1CA12CA9ALDH1A1KDM4E
SCHEMBL27638376 0.82 CA12 (0.70) PARP1CA12CA9ALDH1A1KDM4E
SCHEMBL20340677 0.80 PARP1 (0.66) PARP1CA12CA9AURKAKDR
SCHEMBL14896 0.77 CA12 (1.00) PARP1CA12CA9AURKAKDR
SCHEMBL4818277 0.77 CA12 (1.00) PARP1CA12CA9AURKAKDR
SCHEMBL29355184 0.77 CA12 (1.00) PARP1CA12CA9AURKAKDR
SCHEMBL11354047 0.75 CA12 (0.95) PARP1CA12CA9AURKAKDR
Water SCHEMBL19462837 0.75 CA12 (0.95) PARP1CA12CA9AURKAKDR
Hydrochloric Acid SCHEMBL5046932 0.75 CA12 (0.95) PARP1CA12CA9AURKAKDR
Water SCHEMBL19462703 0.75 CA12 (0.95) PARP1CA12CA9AURKAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103917369-B Single-layer carbon dioxide barrier PET bottle 普莱斯提派克包装公司 2020-06-12 CN claimed
US-20190169425-A1 MONOLAYER CARBON DIOXIDE BARRIER PET BOTTLES PLASTIPAK PACKAGING INC (US) 2019-06-06 US claimed
US-10011714-B2 Monolayer carbon dioxide barrier PET bottles PLASTIPAK PACKAGING, INC. (US) 2018-07-03 US claimed
EP-2750890-B1 MONOLAYER CARBON DIOXIDE BARRIER PET BOTTLES PLASTIPAK PACKAGING INC (US) 2018-06-06 EP claimed
US-20130231422-A1 MONOLAYER CARBON DIOXIDE BARRIER PET BOTTLES WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2013-09-05 US claimed
EP-1931637-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2008-06-18 EP claimed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US claimed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO claimed
US-20250381221-A1 Compositions and Methods for Treating Cancer IN8BIO INC (US) 2025-12-18 US disclosed
US-20250161247-A1 METHOD FOR TREATING BREAST CANCERS AND PARP RESISTANT BREAST CANCERS LANTERN PHARMA INC. (US) 2025-05-22 US disclosed
US-20240299322-A1 TREATING CANCERS WITH COMBINATIONS OF PARP INHIBITOR AND ACYLFULVENES LANTERN PHARMA INC. (US) 2024-09-12 US disclosed
US-20220339179-A1 TREATMENT OF HR DEFICIENT CANCER THE FRANCIS CRICK INSTITUTE LIMITED (GB) 2022-10-27 US disclosed
EP-4028009-A1 TREATMENT OF HR DEFICIENT CANCER The Francis Crick Institute Limited (GB) 2022-07-20 EP disclosed
US-11162095-B2 Use of a combination of Dbait molecule and PARP inhibitors to treat cancer INSTITUT CURIE (FR) 2021-11-02 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO disclosed
US-20060142231-A1 DNA damage repair inhibitors for treatment of cancer KUDOS PHARMACEUTICALS LIMITED (GB) 2006-06-29 US disclosed
US-20050227919-A1 DNA damage repair inhibitors for the treatment of cancer KUDOS PHARMACEUTICALS LIMITED 2005-10-13 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 (6 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-20250161247-A1 METHOD FOR TREATING BREAST CANCERS AND PARP RESISTANT BREAST CANCERS PARP1, PARP2, PARP3 PARP1 1/4885CA12 2721/4885CA9 1273/4885
US-11162095-B2 Use of a combination of Dbait molecule and PARP inhibitors to treat cancer PARP10, PARP1, PARP3 PARP1 2/4885CA12 3869/4885CA9 3017/4885
US-20240299322-A1 TREATING CANCERS WITH COMBINATIONS OF PARP INHIBITOR AND ACYLFULVENES PARP1, PARP2, PARP11 PARP1 1/4885CA12 3923/4885CA9 1719/4885
US-20060142231-A1 DNA damage repair inhibitors for treatment of cancer MRE11, PARP2, ERCC4 PARP1 4/4885CA12 4641/4885CA9 3761/4885
US-20050227919-A1 DNA damage repair inhibitors for the treatment of cancer MRE11, ERCC4, PARP2 PARP1 7/4885CA12 4594/4885CA9 3694/4885
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 PARP1 3414/4885CA12 1700/4885CA9 3754/4885

“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.