SCHEMBL8725876

SCHEMBL8725876

[c]1cccnc1Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
PTGS2 P35354 1/20 0.41
HTR2B P41595 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 1/20 0.40
MAPT P10636 6/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CHEK1 O14757 1/20 0.39
IKBKB O14920 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL5461423 0.83 AURKA (0.41) ALDH1A1MAPTRAB9ANPC1AURKA
SCHEMBL8725425 0.83 MAPT (0.45) ALDH1A1MAPK1TSHRALOX12DHODH
SCHEMBL9833566 0.79 HTR3E (0.47) NPC1PRKCDKMT2AROCK1GRM4
SCHEMBL7546573 0.76 KIF11 (0.52) ALDH1A1TDP1TSHRPTGS1PTGS2
SCHEMBL9379358 0.74 MAPK10 (0.46) ALDH1A1TDP1MAPTRAB9ANPC1
SCHEMBL2648906 0.72 FABP1 (0.53) ALDH1A1L3MBTL1NPC1KMT2AMEN1
SCHEMBL1963739 0.70
SCHEMBL933811 0.70
SCHEMBL6199329 0.69 KMT2A (0.56) HSD17B10ALDH1A1MAPK1TDP1TSHR
SCHEMBL15968669 0.69 AURKA (0.63) HSD17B10ALDH1A1MAPK1TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029553-B2 2-anilino nicotinyl linked 2-amino benzothiazole conjugates and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-12 US claimed
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US claimed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 US claimed
EP-2675802-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-12-25 EP claimed
US-20130324734-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-12-05 US claimed
WO-2012111016-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO claimed
WO-2017025980-A2 NOVEL BENZOTHIAZOLE DERIVATIVES WITH ENHANCED BIOLOGICAL ACTIVITY SHOOLINEUNIVERSITY OF BIOTECHNOLOGY AND MANAGEMENT SCIENCES (IN) 2017-02-16 WO disclosed
US-9309225-B2 N-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)arylamide compounds as potential anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-12 US disclosed
US-20150166507-A1 N-((1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)METHYL)ARYLAMIDE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-06-18 US disclosed
US-9029553-B2 2-anilino nicotinyl linked 2-amino benzothiazole conjugates and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-12 US disclosed
US-9029553-B2 2-anilino nicotinyl linked 2-amino benzothiazole conjugates and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-12 US disclosed
US-9029553-B2 2-anilino nicotinyl linked 2-amino benzothiazole conjugates and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-12 US disclosed
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20130324734-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-12-05 US disclosed
US-20130324734-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-12-05 US disclosed
WO-2012111016-A8 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-08-01 WO disclosed
WO-2012111016-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO disclosed
WO-2012111016-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO disclosed
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 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-20150166507-A1 N-((1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)METHYL)ARYLAMIDE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF CRBN, MCL1, DOT1L HSD17B10 3190/4885ALDH1A1 1514/4885MAPK1 1676/4885
US-20130324734-A1 2-ANILINO NICOTINYL LINKED 2-AMINO BENZOTHIAZOLE CONJUGATES AND PROCESS FOR THE PREPARATION THEREOF CASP2, NAPRT, NME2 HSD17B10 2724/4885ALDH1A1 1567/4885MAPK1 2003/4885
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 HSD17B10 517/4885ALDH1A1 1497/4885MAPK1 781/4885

“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.