SCHEMBL16346174

SCHEMBL16346174

Nc1snc2cc(-c3ccccc3)cnc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAK O14976 9/20 0.53
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CLK1 P49759 2/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
PARP1 P09874 1/20 0.40
GSK3B P49841 3/20 0.40
USP7 Q93009 1/20 0.40
GSK3A P49840 1/20 0.40
MAP4K4 O95819 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL16346368 0.84 GAK (0.42) GAKMAP4K4
SCHEMBL16347714 0.76 GAK (0.59) GAKMAPTCASP1
SCHEMBL17459491 0.71 GAK (0.50) GAKKDM4E
SCHEMBL18889005 0.71 GAK (0.58) GAKMAPTKDM4EGSK3BGSK3A
SCHEMBL17721349 0.71 GAK (0.72) GAKKDM4EMAP4K4
SCHEMBL16347758 0.70 GAK (1.00) GAK
SCHEMBL17721350 0.70 GAK (0.73) GAK
SCHEMBL31191244 0.68 PRMT5 (0.55) MAPTCASP1KDM4EPARP1
SCHEMBL14184261 0.68 NPC1 (0.56) MAPTCASP1KDM4E
SCHEMBL4072413 0.67 PRMT5 (0.42) MAPTCASP1KDM4ECLK1

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-20170152271-A1 GAK MODULATORS AS ANTIVIRALS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2017-06-01 US claimed
US-9518066-B2 GAK modulators KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-12-13 US claimed
EP-3016958-A1 NOVEL GAK MODULATORS Katholieke Universiteit Leuven (BE) 2016-05-11 EP claimed
US-20160122364-A1 NOVEL GAK MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-05-05 US claimed
WO-2016012536-A1 GAK MODULATORS AS ANTIVIRALS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-01-28 WO claimed
WO-2015001076-A1 NOVEL GAK MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-01-08 WO claimed
US-9822127-B2 GAK modulators as antivirals THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-11-21 US disclosed
US-20170152271-A1 GAK MODULATORS AS ANTIVIRALS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2017-06-01 US disclosed
US-9518066-B2 GAK modulators KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-12-13 US disclosed
EP-3016958-A1 NOVEL GAK MODULATORS Katholieke Universiteit Leuven (BE) 2016-05-11 EP disclosed
US-20160122364-A1 NOVEL GAK MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-05-05 US disclosed
WO-2016012536-A1 GAK MODULATORS AS ANTIVIRALS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-01-28 WO disclosed
WO-2015001076-A1 NOVEL GAK MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-01-08 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-20160122364-A1 NOVEL GAK MODULATORS GAK, CAMKK2, GRK3 GAK 1/4885MAPT 616/4885CASP1 2116/4885
US-20170152271-A1 GAK MODULATORS AS ANTIVIRALS GAK, IRF3, EIF2AK2 GAK 1/4885MAPT 3237/4885CASP1 1786/4885

“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.