SCHEMBL1869857

SCHEMBL1869857

O=Cc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.50
CHEK1 O14757 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
PDGFRA P16234 1/20 0.49
GSK3B P49841 1/20 0.49
RPS6KA3 P51812 1/20 0.49
LIMK1 P53667 1/20 0.49
CDK5 Q00535 1/20 0.49
TYRO3 Q06418 1/20 0.49
MAPK14 Q16539 1/20 0.49
LRRK2 Q5S007 1/20 0.49
AURKB Q96GD4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49

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
SCHEMBL21051917 0.82 MKNK1 (0.45) POLBRAB9AL3MBTL1TP53CYP1A2
SCHEMBL14138866 0.82 IDO1 (0.51) RAB9AL3MBTL1TP53CYP1A2ALOX15
SCHEMBL27851623 0.81 MAP2K4 (0.51) POLBRAB9AL3MBTL1TP53HCAR2
SCHEMBL28092499 0.81 ALPL (0.56) POLBRAB9AL3MBTL1RETLMNA
SCHEMBL14814661 0.81 CA12 (0.56) RAB9ATP53RETALOX15MAPT
SCHEMBL28797356 0.80 HCAR2 (0.51) TP53HCAR2ALDH1A1KDM4E
SCHEMBL27326159 0.80 POLB (0.57) POLBRAB9AL3MBTL1TP53CYP1A2
SCHEMBL29798905 0.77 POLB (0.53) POLBRAB9AL3MBTL1TP53CYP1A2
SCHEMBL3393351 0.77 TDP1 (0.52) POLBRAB9AL3MBTL1TP53CYP1A2
SCHEMBL2888170 0.77 MAPT (0.63) RAB9AL3MBTL1TP53GSK3BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102884059-A N-acyl cyclic amine derivatives or pharmaceutically acceptable salts thereof DAINIPPON SUMITOMO PHARMA CO 2013-01-16 CN claimed
EP-1119351-B1 USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS GRUENENTHAL GMBH (DE) 2003-05-02 EP claimed
EP-1119351-A2 USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS Grünenthal GmbH (DE) 2001-08-01 EP claimed
WO-2000019989-A2 USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS Grünenthal GmbH (DE) 2000-04-13 WO claimed
EP-3728266-A1 FUSED TRICYCLIC PYRAZOLO-DIHYDROPYRAZINYL-PYRIDONE COMPOUNDS AS ANTIVIRALS Novartis AG (CH) 2020-10-28 EP disclosed
EP-2944635-B1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2018-11-28 EP disclosed
EP-3039013-B1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL SCIENT IND RES (IN) 2018-09-12 EP disclosed
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-9604933-B2 Pyrazolochalcones as potential anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-03-28 US disclosed
EP-2454237-B1 3-OXO-2,3,-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION NERVIANO MEDICAL SCIENCES SRL (IT) 2016-09-07 EP disclosed
US-20160207888-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-21 US disclosed
CN-102884059-A N-acyl cyclic amine derivatives or pharmaceutically acceptable salts thereof DAINIPPON SUMITOMO PHARMA CO 2013-01-16 CN disclosed
US-20120245143-A1 3-0X0-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-27 US disclosed
WO-2011006803-A9 3-0X0-2, 3, -DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 WO disclosed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
EP-1119351-A2 USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS Grünenthal GmbH (DE) 2001-08-01 EP disclosed
WO-2000019989-A2 USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS Grünenthal GmbH (DE) 2000-04-13 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 POLB 3519/4885RAB9A 4357/4885L3MBTL1 4875/4885
US-20120245143-A1 3-0X0-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION PARP1, PARP2, PARP11 POLB 185/4885RAB9A 4087/4885L3MBTL1 3107/4885
US-20160207888-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS HCCS, CCNE2, FOXO3 POLB 3217/4885RAB9A 3238/4885L3MBTL1 2218/4885

“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.