SCHEMBL5439409

SCHEMBL5439409

NCc1ncc2ccsc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
NTRK1 P04629 2/20 0.34
LTK P29376 2/20 0.34
TYRO3 Q06418 2/20 0.34
NTRK2 Q16620 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL12343963 0.81 ADORA2A (0.37) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL20631751 0.78 HRH1 (0.30)
SCHEMBL20138480 0.74 HTR2C (0.44)
SCHEMBL29994236 0.74 NTRK1 (0.41) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL857548 0.69 CLK4 (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL743402 0.69 MAPK1 (0.39) CYP2A6NTRK1LTKTYRO3NTRK2
SCHEMBL18671569 0.69 NTRK1 (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL25054255 0.68 CYP2A6 (0.55) CYP2A6NTRK1LTKTYRO3NTRK2
SCHEMBL20271932 0.67 MEN1 (0.36) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL655306 0.67 PIK3CA (0.40) NTRK1LTKTYRO3NTRK2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259168-B2 2-Aminoalkyl-thieno[2,3-d]pyrimidines MERCK PATENT GMBH (DE) 2007-08-21 US disclosed
CN-1234712-C 2-zminoalkyl-thieno [2,3-D] pyrimidines MERCK PATENT GMBH (DE) 2006-01-04 CN disclosed
EP-1294729-B1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2004-09-15 EP disclosed
US-20040044011-A1 2-Aminoalkyl-thieno[2,3-d]pyrimidines MEREK PATENT GMBH (DE) 2004-03-04 US disclosed
CN-1439012-A 2-zminoalkyl-thieno [2,3-D] pyrimidines MERCK PATENT GMBH (DE) 2003-08-27 CN disclosed
EP-1294729-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GmbH (DE) 2003-03-26 EP disclosed
WO-2002000664-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-01-03 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 (1 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-20040044011-A1 2-Aminoalkyl-thieno[2,3-d]pyrimidines DPYD, PDE3A, PDE2A CYP2A6 174/4885NTRK1 4098/4885LTK 1050/4885

“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.