SCHEMBL4885638

SCHEMBL4885638

Cc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC[C@H](O)CO)nc2s1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.82
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42
SLC6A7 Q99884 1/20 0.42

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
SCHEMBL4894358 1.00 P2RY12 (0.82) P2RY12CNR2MEN1GPR55SLC6A7
SCHEMBL4897126 0.91 P2RY12 (0.69) P2RY12CNR2MEN1GPR55
SCHEMBL4897353 0.91 P2RY12 (0.69) P2RY12CNR2MEN1GPR55
SCHEMBL4899646 0.90 P2RY12 (1.00) P2RY12MEN1
SCHEMBL4899341 0.90 P2RY12 (1.00) P2RY12MEN1
SCHEMBL4893546 0.90 P2RY12 (0.68) P2RY12CNR2MEN1GPR55
SCHEMBL4899024 0.90 P2RY12 (0.68) P2RY12CNR2MEN1GPR55
SCHEMBL4897189 0.88 P2RY12 (0.81) P2RY12CNR2MEN1GPR55SLC6A7
SCHEMBL4915963 0.87 P2RY12 (0.63) P2RY12CNR2GPR55SLC6A7
SCHEMBL4918576 0.87 P2RY12 (0.63) P2RY12CNR2GPR55SLC6A7

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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US 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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 P2RY12 20/4885CNR2 715/4885MEN1 4545/4885

“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.