SCHEMBL4924573

SCHEMBL4924573

CCOc1[c][nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.44
GABRD O14764 5/20 0.44
GABRA1 P14867 5/20 0.44
GABRB1 P18505 5/20 0.44
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA5 P31644 5/20 0.44
GABRA3 P34903 5/20 0.44
GABRA2 P47869 5/20 0.44
GABRB2 P47870 5/20 0.44
GABRA4 P48169 5/20 0.44
GABRE P78334 5/20 0.44
GABRA6 Q16445 5/20 0.44
GABRG1 Q8N1C3 5/20 0.44
GABRG3 Q99928 5/20 0.44
GABRQ Q9UN88 5/20 0.44
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4921051 0.86 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4912242 0.84 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10626970 0.79 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2071022 0.79 ALDH1A1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5757538 0.76 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5759521 0.74 CHRM2 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5757416 0.74 HTR2C (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5760924 0.73 GAA (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5760229 0.73 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1401293 0.72 LTA4H (0.41) KDM4EKMT2AALDH1A1LTA4HLMNA

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 GABRP 2388/4885GABRD 3440/4885GABRA1 2467/4885

“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.