SCHEMBL116001

SCHEMBL116001

Cc1ccc2cc(N)ccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
KDM4E B2RXH2 2/20 1.00
POLB P06746 1/20 1.00
CASP6 P55212 1/20 1.00
CYP1A2 P05177 3/20 0.63
PLAU P00749 1/20 0.63
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
F2 P00734 1/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
MAOA P21397 1/20 0.52
DRD1 P21728 1/20 0.52
ACHE P22303 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
OPRM1 P35372 1/20 0.52

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
SCHEMBL30292799 1.00 LMNA (1.00) LMNAKDM4EPOLBCASP6CYP1A2
Hydrochloric Acid SCHEMBL2247003 0.98 KDM4E (0.96) LMNAKDM4EPOLBCASP6CYP1A2
SCHEMBL31538470 0.84 LMNA (0.73) LMNAKDM4EPOLBCASP6CYP1A2
SCHEMBL1348618 0.84 LMNA (0.73) LMNAKDM4EPOLBCASP6CYP1A2
SCHEMBL14925242 0.80 LMNA (0.66) LMNAKDM4EPOLBCASP6CYP1A2
SCHEMBL161703 0.77 CYP1A2 (1.00) LMNAKDM4EPOLBCASP6CYP1A2
SCHEMBL30503638 0.77 PLAU (1.00) LMNAKDM4EPOLBCASP6PLAU
SCHEMBL3412309 0.77 PLAU (1.00) LMNAKDM4EPOLBCASP6PLAU
SCHEMBL29444268 0.77 CYP1A2 (1.00) LMNAKDM4EPOLBCASP6CYP1A2
SCHEMBL10259445 0.76 CYP1A2 (0.68) LMNAKDM4EPOLBCASP6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118001879-A Application of nano copper alloy in filtering harmful substances in cigarette smoke 广东合一新材料研究院有限公司 2024-05-10 CN claimed
CN-111377860-A Cyanide/hydrogen cyanide colorimetric-fluorescent probe and detection test paper and preparation method thereof 中国科学技术大学 2020-07-07 CN claimed
CN-108358914-B Nucleic acid fluorescent probe for cell nucleus staining and preparation method thereof 中国科学技术大学 2020-03-31 CN claimed
US-10401747-B1 Undercoat layer for imaging device XEROX CORPORATION (US) 2019-09-03 US claimed
EP-2935198-B1 METHOD FOR STABILISING POLYMERISABLE COMPOUNDS BASF SE (DE) 2019-06-05 EP claimed
CN-109020886-A Alkylaminoquinoline class compound and its preparation method and application 中国人民解放军成都军区总医院 2018-12-18 CN claimed
CN-108358914-A A kind of nucleic acid fluorescent probe and preparation method thereof for nuclear targeting 中国科学技术大学 2018-08-03 CN claimed
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 EP claimed
EP-2935198-A2 METHOD FOR STABILISING POLYMERISABLE COMPOUNDS BASF SE (DE) 2015-10-28 EP claimed
WO-2014095437-A2 METHOD FOR STABILISING POLYMERISABLE COMPOUNDS BASF SE (DE) 2014-06-26 WO claimed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US claimed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP claimed
US-20090246660-A1 ADDITIVE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-10-01 US claimed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US claimed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP claimed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP claimed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO claimed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 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 (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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 LMNA 3137/4885KDM4E 2087/4885POLB 3619/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 LMNA 2911/4885KDM4E 1036/4885POLB 2194/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 LMNA 3137/4885KDM4E 2087/4885POLB 3619/4885
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 LMNA 2088/4885KDM4E 274/4885POLB 4222/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 LMNA 1878/4885KDM4E 1140/4885POLB 2648/4885

“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.