SCHEMBL16346223

SCHEMBL16346223

Nc1snc2cc(-c3cccnc3)cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.48
DYRK1B Q9Y463 4/20 0.46
DYRK1A Q13627 3/20 0.46
MEN1 O00255 1/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
EGFR P00533 1/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAK O14976 3/20 0.43
PIK3CD O00329 1/20 0.43
PIP5K1C O60331 1/20 0.43
PIK3CA P42336 1/20 0.43
PI4KA P42356 1/20 0.43
PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL16346174 0.84 GAK (0.53) GAK
SCHEMBL16345950 0.79 PDGFRB (0.51) CYP2A6PDGFRBPDGFRAEGFRGAK
SCHEMBL16347744 0.75 GAK (0.61) CYP2A6PDGFRBPDGFRAGAKCHEK2
SCHEMBL16345804 0.74 GAK (0.42) CYP2A6PDGFRBPDGFRAEGFRGAK
SCHEMBL17721346 0.74 GAK (0.66) CYP2A6DYRK1AMKNK1MKNK2PDGFRB
SCHEMBL17721353 0.73 GAK (0.59) MEN1PDGFRBPDGFRACYP3A4ALDH1A1
SCHEMBL17721345 0.73 GAK (0.78) PDGFRBPDGFRAGAKPIK3CA
SCHEMBL10918242 0.71 CYP2A6 (0.65) CYP2A6DYRK1BDYRK1AMEN1PSIP1
SCHEMBL24848328 0.71 PRMT5 (0.57) CYP2A6DYRK1BDYRK1AMEN1PSIP1
SCHEMBL31191051 0.71 PRMT5 (0.57) CYP2A6DYRK1BDYRK1AMEN1PSIP1

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 CYP2A6 4603/4885DYRK1B 559/4885DYRK1A 589/4885
US-20170152271-A1 GAK MODULATORS AS ANTIVIRALS GAK, IRF3, EIF2AK2 CYP2A6 3835/4885DYRK1B 1427/4885DYRK1A 1399/4885

“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.