SCHEMBL4723656

SCHEMBL4723656

CCCC(CCC)Nc1[c]nncc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.31
CYP2D6 P10635 1/20 0.31
CACNA2D1 P54289 2/20 0.31
TLR8 Q9NR97 2/20 0.30
TLR7 Q9NYK1 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
SCHEMBL4721032 0.93 TAS1R3 (0.31)
SCHEMBL4723592 0.86 CRHR1 (0.33)
SCHEMBL4724726 0.85 TLR8 (0.39) CYP2D6TLR8TLR7
SCHEMBL4720429 0.77 ALDH1A1 (0.44)
SCHEMBL4720060 0.76 CACNA2D1 (0.36) KCNH2CYP2D6CACNA2D1TLR8TLR7
SCHEMBL4723420 0.73 KDM6B (0.33)
SCHEMBL4722927 0.71 TLR8 (0.35) KCNH2CYP2D6CACNA2D1TLR8TLR7
SCHEMBL4721503 0.70 TLR8 (0.39) KCNH2CYP2D6TLR8TLR7
SCHEMBL4723572 0.66 TAS1R3 (0.32) KCNH2CACNA2D1
SCHEMBL4719824 0.64 CACNA2D1 (0.35) KCNH2CACNA2D1

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 KCNH2 402/4885CYP2D6 112/4885CACNA2D1 2309/4885

“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.