SCHEMBL89255

SCHEMBL89255

S=C1NCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
ALOX12 P18054 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 2/20 0.38
PDPK1 O15530 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TYRO3 Q06418 1/20 0.36
NTRK2 Q16620 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL88901 0.77 PARP1 (0.59) CA12CA9ALOX12LMNAKMT2A
Hydrochloric Acid SCHEMBL5046932 0.74 CA12 (0.95) CA12CA9KMT2APARP1PDPK1
SCHEMBL12797174 0.74 PARP1 (0.46) ALOX12LMNAKMT2APARP1PDPK1
Hydrochloric Acid SCHEMBL29374879 0.73 CA12 (0.91) CA12CA9KMT2APARP1PDPK1
SCHEMBL8558277 0.72 ALOX15 (0.50) CA12CA9KMT2AALOX15HSD17B10
Hydrochloric Acid SCHEMBL32672905 0.72 CA12 (0.50) CA12CA9ALOX12LMNAPARP1
SCHEMBL162748 0.71 CA12 (0.56) CA12CA9LMNAALOX15HSD17B10
SCHEMBL14896 0.71 CA12 (1.00) CA12CA9KMT2APARP1PDPK1
SCHEMBL3371709 0.71 CA12 (0.56) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL13896338 0.71 CA12 (0.56) CA12CA9ALOX15HSD17B10PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066240-A Allosteric EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所股份有限公司 2022-09-16 CN disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8771944-B2 Use of micro-RNA as a biomarker of immunomodulatory drug activity CELGENE CORPORATION (US) 2014-07-08 US disclosed
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2009085234-A2 USE OF MICRO-RNA AS A BIOMARKER OF IMMUNOMODULATORY DRUG ACTIVITY SIGNAL PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
US-20090176237-A1 USE OF MICRO-RNA AS A BIOMARKER OF IMMUNOMODULATORY DRUG ACTIVITY CELGENE CORPORATION 2009-07-09 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 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 (7 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 CA12 2883/4885CA9 639/4885ALOX12 1688/4885
US-20080242662-A1 Organic Compounds REN, ACE, ECE1 CA12 1306/4885CA9 1239/4885ALOX12 564/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CA12 2906/4885CA9 630/4885ALOX12 1476/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 CA12 1200/4885CA9 1710/4885ALOX12 1730/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC CA12 1565/4885CA9 378/4885ALOX12 1076/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 CA12 3731/4885CA9 933/4885ALOX12 2112/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 CA12 4247/4885CA9 1198/4885ALOX12 3836/4885

“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.