SCHEMBL4918709

SCHEMBL4918709

CCCCOc1[c]nncc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 14/20 0.41
CYP3A4 P08684 9/20 0.41
CYP19A1 P11511 11/20 0.38
CYP2C9 P11712 11/20 0.37
CYP2C19 P33261 11/20 0.37
CYP1A2 P05177 10/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
LTA4H P09960 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL4917812 0.91 MAPT (0.34) CYP2D6CYP3A4NPC1LTA4HSMN1; SMN2
SCHEMBL4919465 0.82
SCHEMBL4924798 0.74 LTA4H (0.35) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1494205 0.74 CYP2D6 (0.42) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL4765692 0.72 CYP1A2 (0.51) CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2
SCHEMBL277285 0.71
SCHEMBL10388858 0.70 CYP2D6 (0.49) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1494545 0.69 LTA4H (0.40) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1494281 0.68 LMNA (0.40) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1494604 0.68 LMNA (0.40) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 CYP2D6 113/4885CYP3A4 325/4885CYP19A1 1913/4885

“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.