SCHEMBL4721708

SCHEMBL4721708

CCCCNC1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.38
FUCA1 P04066 4/20 0.37
EPHX1 P07099 1/20 0.35
TSHR P16473 1/20 0.35
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLB1 P16278 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
SCHEMBL4720340 0.85
SCHEMBL3804225 0.74
SCHEMBL22204398 0.73
SCHEMBL4723582 0.73 HTT (0.34) FUCA1EPHX1GNAI3GNAO1GNAI1
SCHEMBL16551563 0.69 MEN1 (0.36) FUCA1EPHX1GNAI3GNAO1GNAI1
SCHEMBL11085582 0.68 TSHR (0.42) FUCA1EPHX1TSHRGNAI3GNAO1
SCHEMBL10343684 0.68 GNAI3 (0.48) FUCA1GNAI3GNAO1GNAI1
SCHEMBL1933458 0.67 GNAI3 (0.57) GBA1FUCA1TSHRGNAI3GNAO1
SCHEMBL17287219 0.67 FUCA1 (0.50) GBA1FUCA1TSHRGNAI3GNAO1
SCHEMBL1678660 0.67

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 GBA1 3649/4885FUCA1 4369/4885EPHX1 1020/4885

“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.