SCHEMBL4722993

SCHEMBL4722993

CCCN(C)c1ccn[c]n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.39
CSNK1D P48730 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
AOC3 Q16853 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNA5 P22460 1/20 0.31
SLC6A2 P23975 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4723754 0.89 HRH3 (0.38) HCAR3HRH3SLC6A2
SCHEMBL2068294 0.86 HRH3 (0.33) HRH3
SCHEMBL995154 0.85 HRH3 (0.51) HRH3CYP2D6SLC6A2POLB
SCHEMBL4722558 0.82 HCAR3 (0.38) HCAR3AOC3CYP2D6KCNE1KCNA5
SCHEMBL933786 0.81 HRH3 (0.41) HRH3CYP2D6
SCHEMBL4720137 0.79 CYP2D6 (0.33) HCAR3CYP2D6KCNE1KCNA5
SCHEMBL15415594 0.79 CYP2D6 (0.30) CYP2D6KCNE1KCNA5
SCHEMBL1853793 0.77
SCHEMBL4763808 0.77 HCAR3 (0.34) HCAR3
SCHEMBL4723694 0.76 GBA1 (0.37) CSNK1DMAPK11MAPK14

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 HCAR3 537/4885CSNK1D 2000/4885MAPK11 4406/4885

“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.