SCHEMBL2640557

SCHEMBL2640557

Sc1nnc(-c2ccncc2)n1-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.48
TNKS2 Q9H2K2 4/20 0.48
GAA P10253 2/20 0.45
MAPK10 P53779 2/20 0.45
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 5/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 2/20 0.42
APAF1 O14727 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK9 P45984 1/20 0.40
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11920162 0.86 MAPK10 (0.40) TNKSTNKS2GAAMAPK10HSD17B10
SCHEMBL2640860 0.86 GLA (0.43) TNKSTNKS2HSD17B10ALDH1A1HPGD
SCHEMBL2640774 0.84 TNKS (0.44) TNKSTNKS2KDM4ELMNAPOLB
SCHEMBL2640684 0.83 ADORA2A (0.39) TNKSTNKS2GAAMAPK10KDM4E
SCHEMBL2635912 0.81 AKT1 (0.36) TNKSTNKS2GAAALDH1A1LMNA
SCHEMBL2640727 0.81 HSD11B1 (0.50) TNKSTNKS2ALDH1A1HTTHPGD
SCHEMBL2640768 0.80 TNKS2 (0.53) TNKSTNKS2
SCHEMBL14112938 0.80 HSD11B1 (0.51) HSD17B10ALDH1A1HPGDALOX15KDM4E
SCHEMBL2640745 0.79 HSP90AA1 (0.40) TNKSTNKS2GAAALDH1A1HTT
SCHEMBL2640666 0.79 ALDH1A1 (0.35) TNKSTNKS2ALDH1A1HPGDLMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 US disclosed
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 US disclosed
EP-2438052-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS Oslo University Hospital HF (NO) 2012-04-11 EP disclosed
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 WO disclosed
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 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 (2 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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 TNKS 1665/4885TNKS2 1460/4885GAA 2285/4885
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS NAMPT, NAPRT, NADK TNKS 716/4885TNKS2 871/4885GAA 1159/4885

“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.