SCHEMBL4765490

SCHEMBL4765490

CCCOc1ccc2ccccc2c1-c1[c]nn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALOX5 P09917 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLA2G1B P04054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HTR1B P28222 5/20 0.41
TLR8 Q9NR97 1/20 0.41
MCHR1 Q99705 1/20 0.41
HTR1D P28221 2/20 0.40
MAPT P10636 1/20 0.40
BTK Q06187 1/20 0.39
DHFR P00374 1/20 0.38
KCNH2 Q12809 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
SCHEMBL4720100 0.94 GAA (0.50) CNR1CNR2ALOX5GAATDP1
SCHEMBL4723618 0.89 ALOX5 (0.53) MEN1KMT2AALOX5GAATDP1
SCHEMBL4724591 0.82 MAPT (0.62) MEN1KMT2AMAPTTP53
SCHEMBL2048172 0.81 MAPT (0.58) MEN1KMT2ATSHRCNR1CNR2
SCHEMBL4766903 0.79 PDE5A (0.45) MEN1KMT2ATLR8MAPTTP53
SCHEMBL4723498 0.79 MEN1 (0.44) MEN1KMT2ATSHRCNR1CNR2
SCHEMBL4722242 0.77 MEN1 (0.43) MEN1KMT2ATSHRCNR1CNR2
SCHEMBL18878606 0.75 CNR1 (0.51) MEN1KMT2ATSHRCNR1CNR2
SCHEMBL14331323 0.74 GAA (0.65) CNR1CNR2ALOX5GAATDP1
SCHEMBL4722853 0.73 GAA (0.50) MEN1KMT2ATSHRCNR1CNR2

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 MEN1 4451/4885KMT2A 3345/4885TSHR 499/4885

“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.