SCHEMBL4765616

SCHEMBL4765616

COc1co[c]c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
PDE4B Q07343 1/20 0.36

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
SCHEMBL4764105 0.79 ADORA1 (0.42) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4723556 0.76 ADORA3 (0.39) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL10471233 0.74 ALDH1A1 (0.35) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL10917255 0.71 NPC1 (0.52) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL1274782 0.69 CA1 (0.46) CA4CA12CA1CA2CA7
SCHEMBL4724539 0.68 CA1 (0.39) CA4CA12CA1CA2CA7
SCHEMBL3766619 0.67 CA12 (0.38) CA4CA12CA1CA2CA7
SCHEMBL6189538 0.67 ALDH1A1 (0.39) CA4CA12CA1CA2CA7
SCHEMBL7699767 0.67 KDM4E (0.39) CA4CA12CA1CA2CA7
SCHEMBL7071376 0.67 PDE4B (0.39) CA4CA12CA1CA2CA7

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 CA4 3131/4885CA12 4869/4885CA1 4737/4885

“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.