SCHEMBL4720944

SCHEMBL4720944

CCCCOc1[nH]n[c]c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.40
CYP2C9 P11712 6/20 0.40
CYP2C19 P33261 6/20 0.40
CYP3A4 P08684 5/20 0.40
CYP19A1 P11511 4/20 0.40
LTA4H P09960 2/20 0.40
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
CHUK O15111 1/20 0.39
PDPK1 O15530 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL4724605 0.92 MAPT (0.34) CYP2D6CYP2C9CYP2C19CYP3A4CYP19A1
SCHEMBL4723416 0.86 TTK (0.39) LTA4HFGFR1MAPK1MAPT
SCHEMBL558507 0.77 ALDH1A1 (0.37) DYRK1AGAAMAPT
SCHEMBL4720928 0.71 CNR1 (0.37) MAPK1GSK3AGSK3BMAPT
SCHEMBL4719732 0.70 CYP2C9 (0.42) CYP2D6CYP2C9CYP2C19CYP3A4CYP19A1
SCHEMBL4722708 0.70 LTA4H (0.40) CYP2D6CYP2C9CYP2C19CYP3A4CYP19A1
SCHEMBL4722492 0.70 CYP2D6 (0.40) CYP2D6CYP2C9CYP2C19CYP3A4CYP19A1
SCHEMBL4723388 0.70 SOAT1 (0.42) CYP2D6CYP2C9CYP2C19CYP3A4CYP19A1
SCHEMBL4765696 0.69 CYP2C9 (0.41) CYP2D6CYP2C9CYP2C19CYP3A4CYP19A1
SCHEMBL4723292 0.68 CYP2C9 (0.44) CYP2D6CYP2C9CYP2C19CYP3A4CYP19A1

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 CYP2D6 112/4885CYP2C9 303/4885CYP2C19 195/4885

“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.