SCHEMBL4914232

SCHEMBL4914232

Cc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)nc(NC(=O)NCCCO)nc2s1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.68
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4923529 0.91 P2RY12 (0.81) P2RY12PIK3R1PIK3CAMTOR
SCHEMBL4898753 0.86 P2RY12 (0.57) P2RY12
SCHEMBL4936951 0.83 P2RY12 (0.56) P2RY12
SCHEMBL4922588 0.81 P2RY12 (1.00) P2RY12
SCHEMBL4924830 0.80 P2RY12 (0.82) P2RY12
SCHEMBL4896726 0.79 P2RY12 (0.70) P2RY12
SCHEMBL4895182 0.79 P2RY12 (0.54) P2RY12
SCHEMBL4924697 0.77 P2RY12 (0.71) P2RY12PIK3R1PIK3CAMTOR
SCHEMBL4910234 0.77 P2RY12 (0.58) P2RY12PIK3R1PIK3CAMTOR
SCHEMBL4915470 0.76 P2RY12 (0.74) P2RY12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 P2RY12 24/4885PIK3R1 1933/4885PIK3CA 350/4885

“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.