SCHEMBL4722347

SCHEMBL4722347

CCCC(CCC)Nc1[c]nc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.40
CACNA2D1 P54289 2/20 0.40
CRHR1 P34998 1/20 0.37
TLR8 Q9NR97 7/20 0.35
DRD2 P14416 1/20 0.35
TLR7 Q9NYK1 2/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4719858 0.94 CACNA2D1 (0.37) KCNH2CACNA2D1CRHR1TLR8DRD2
SCHEMBL4724189 0.88 ELANE (0.35) CACNA2D1CRHR1TLR8
SCHEMBL4724625 0.87 TLR8 (0.43) KCNH2CACNA2D1TLR8TLR7
SCHEMBL4721803 0.81 ELANE (0.42) CACNA2D1TLR8
SCHEMBL4724624 0.80 APP (0.41) TLR8TLR7
SCHEMBL4720683 0.77 TLR8 (0.43) TLR8TLR7CYP2D6
SCHEMBL4724840 0.76 TLR8 (0.39) TLR8
SCHEMBL4723728 0.76 NCF1 (0.44) TLR8CYP2D6
SCHEMBL4722779 0.75 TLR8 (0.55) TLR8TLR7
SCHEMBL9637930 0.71 ALDH1A1 (0.41) CYP2D6

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 402/4885CACNA2D1 2309/4885CRHR1 3095/4885

“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.