SCHEMBL4910963

SCHEMBL4910963

[CH2]CC(N)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 4/20 0.44
▸ MAPT P10636 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4914227 0.86 CES1 (0.42) CES1MAPTTSHRCYP3A4TDP1
SCHEMBL8869716 0.77 LMNA (0.47) CES1MAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL11529954 0.77 PTPN1 (0.49) CES1MAPTTSHRCYP3A4TDP1
SCHEMBL5695380 0.76 CES1 (0.45) CES1MAPTTSHRCYP3A4TDP1
SCHEMBL2161616 0.76 HIF1A (0.50) CES1MAPTTSHRCYP3A4TDP1
SCHEMBL8868390 0.75 CES1 (0.50) CES1CYP2C19L3MBTL1KMT2ACYP1A2
SCHEMBL4719207 0.75 CES1 (0.48) CES1MAPTTSHRCYP3A4TDP1
SCHEMBL11531333 0.74 CES1 (0.52) CES1MAPTTSHRCYP3A4TDP1
SCHEMBL1878464 0.74 CES1 (0.52) CES1MAPTTSHRCYP3A4TDP1
SCHEMBL8837538 0.73 CYP2C19 (0.43) MAPTCYP2C19KMT2ACYP1A2CYP2D6

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 5 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
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 — — 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
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 — — 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 CES1 2911/4885MAPT 4568/4885TSHR 337/4885

“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.

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