SCHEMBL4723691

SCHEMBL4723691

CNC1[C]Oc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR2A P28223 3/20 0.32
HRH1 P35367 3/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL4720145 0.81 PDPK1 (0.34) PDPK1MAOAMAOBMEN1KMT2A
SCHEMBL4720342 0.79 KMT2A (0.33) MAOAMAOBMEN1KMT2ASLC6A2
SCHEMBL4719813 0.77 BCHE (0.37) MEN1KMT2ASLC6A2SLC6A4HTR2B
SCHEMBL4721968 0.74 BCHE (0.49) MEN1KMT2AALDH1A1
SCHEMBL3373132 0.72 MAOA (0.37) MAOAMAOBMEN1KMT2A
SCHEMBL4911794 0.69 MAOA (0.34) MAOAMAOB
SCHEMBL3377418 0.68 MAOA (0.46) MAOAMAOBMEN1KMT2AHDAC3
SCHEMBL5326093 0.68 MAOA (0.37) MAOAMAOB
SCHEMBL742598 0.68 MAOA (0.37) MAOAMAOB
SCHEMBL4723880 0.68 GPR3 (0.38) MAOAMAOBMEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 PDPK1 1658/4885MAOA 559/4885MAOB 517/4885

“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.