SCHEMBL4720100

SCHEMBL4720100

CCCCOc1ccc2ccccc2c1-c1[c]nn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNH2 Q12809 3/20 0.45
TP53 P04637 1/20 0.44
HTR1B P28222 3/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
HTR1D P28221 1/20 0.42
MCHR1 Q99705 1/20 0.42
TLR8 Q9NR97 1/20 0.42
ALOX5 P09917 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4765490 0.94 MEN1 (0.44) GAATDP1L3MBTL1KCNH2TP53
SCHEMBL4723618 0.88 ALOX5 (0.53) GAATDP1TLR8ALOX5CYP2C9
SCHEMBL14331323 0.82 GAA (0.65) GAATDP1L3MBTL1KCNH2HTR1B
SCHEMBL4724591 0.81 MAPT (0.62) TP53
SCHEMBL4724247 0.80 CYP1A2 (0.49) GAATDP1L3MBTL1HTR1BMCHR1
SCHEMBL4722853 0.80 GAA (0.50) GAATDP1L3MBTL1KCNH2HTR1B
SCHEMBL4765411 0.78 GAA (0.48) GAATDP1L3MBTL1KCNH2HTR1B
SCHEMBL8881796 0.77 GAA (0.59) GAATDP1L3MBTL1KCNH2HTR1B
SCHEMBL24797312 0.75 TDP1 (0.53) GAATDP1L3MBTL1KCNH2HTR1B
SCHEMBL2048172 0.74 MAPT (0.58) GAATDP1L3MBTL1HTR1BCNR1

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 GAA 3876/4885TDP1 1332/4885L3MBTL1 3954/4885

“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.