SCHEMBL4722599

SCHEMBL4722599

CCCN(C)c1[c]nccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HCAR3 P49019 1/20 0.33
KCNA5 P22460 2/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.31
KCNE1 P15382 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNA7 P36544 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4722782 0.89 KDM4E (0.38) L3MBTL1
SCHEMBL2068626 0.86 CHRNB2 (0.35) CHRNB2CHRNA4CHRNA7
SCHEMBL933815 0.85 HRH3 (0.40) KCNH2CYP2D6CHRNB2CHRNA4CHRNA7
SCHEMBL15416124 0.83 POLB (0.40) CHRNA7CA1CA2CA9L3MBTL1
SCHEMBL4723409 0.82 AGTR1 (0.35) HCAR3KCNA5KCNH2CYP2D6KCNE1
SCHEMBL933791 0.81 CHRNA7 (0.36) KCNH2CYP2D6CHRNB2CHRNA4CHRNA7
SCHEMBL7248100 0.81 SIGMAR1 (0.37) KCNH2
SCHEMBL4631080 0.80 KCNA5 (0.35) KCNA5KCNH2CHRNB2CHRNA4
SCHEMBL4722714 0.79 KCNA5 (0.33) KCNA5KCNH2CYP2D6KCNE1CHRNB2
SCHEMBL303262 0.77

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 CSNK1D 2000/4885MAPK11 4406/4885MAPK14 4347/4885

“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.