SCHEMBL4919495

SCHEMBL4919495

CCCCOc1[c]nccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 13/20 0.39
CYP3A4 P08684 9/20 0.39
CYP19A1 P11511 10/20 0.38
CYP2C9 P11712 9/20 0.38
CYP2C19 P33261 9/20 0.38
CYP1A2 P05177 8/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
STAT3 P40763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTA4H P09960 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR8 Q9NR97 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
SCHEMBL4916750 0.90 NPC1 (0.33) SMN1; SMN2KDM4ENPC1ALDH1A1MAPT
SCHEMBL4630612 0.80 TSHR (0.33) TSHR
SCHEMBL445846 0.72
SCHEMBL128601 0.71 CYP2D6 (0.41) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1494205 0.69 CYP2D6 (0.42) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL4723803 0.69 CYP1A2 (0.52) CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2
SCHEMBL5759676 0.68
SCHEMBL11547772 0.68 CHRNB2 (0.31)
SCHEMBL16446832 0.68 ALDH1A1 (0.34) L3MBTL1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL10635566 0.68 TDP1 (0.35) CYP3A4L3MBTL1LMNASMN1; SMN2KDM4E

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.