SCHEMBL4724855

SCHEMBL4724855

CCOc1ccn[c]c1-c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
TLR8 Q9NR97 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
GUSB P08236 1/20 0.38
HTR2C P28335 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTR1B P28222 2/20 0.36
FDPS P14324 1/20 0.36
HTR1D P28221 1/20 0.36
ALOX5 P09917 1/20 0.36
PDE5A O76074 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
SCHEMBL4724637 0.89 HTR1B (0.43) TLR8MEN1POLBKMT2AMAPT
SCHEMBL4721628 0.88 HTR1B (0.47) TLR8L3MBTL1HTR1BHTR1DPDE5A
SCHEMBL4724144 0.84 ALDH1A1 (0.41) MEN1KMT2AMAPTHPGDTSHR
SCHEMBL4723129 0.80 ENPP1 (0.44) ENPP1S1PR1S1PR3TLR8MEN1
SCHEMBL4724628 0.74 ENPP1 (0.49) ENPP1S1PR1S1PR3GUSBHPGD
SCHEMBL10823555 0.74 ENPP1 (0.57) ENPP1S1PR1S1PR3GUSBTSHR
SCHEMBL4722698 0.73 ENPP1 (0.43) ENPP1S1PR1S1PR3GUSBHPGD
SCHEMBL4723619 0.72 ENPP1 (0.39) ENPP1S1PR1S1PR3MEN1POLB
SCHEMBL4724759 0.72 ENPP1 (0.39) ENPP1S1PR1S1PR3MEN1POLB
SCHEMBL4724475 0.72 ENPP1 (0.39) ENPP1S1PR1S1PR3TLR8MEN1

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 ENPP1 414/4885S1PR1 618/4885S1PR3 346/4885

“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.