SCHEMBL4720443

SCHEMBL4720443

CCCOc1[c]nnnc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SOAT1 P35610 1/20 0.39
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL4723676 0.93 SOAT1 (0.44) ALDH1A1SOAT1MAPTTSHRNPSR1
SCHEMBL4721506 0.88 SMN1; SMN2 (0.40) ALDH1A1SOAT1MAPTLMNATSHR
SCHEMBL4720290 0.79 SMN1; SMN2 (0.41) ALDH1A1MAPTLMNATSHRNPSR1
SCHEMBL4724089 0.68 BACE1 (0.35) ALDH1A1SOAT1MAPTGAAHPGD
SCHEMBL4724823 0.68 ALDH1A1 (0.37) ALDH1A1MAPTLMNATSHRNPSR1
SCHEMBL2554755 0.68 LMNA (0.42) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL4719956 0.66 SOAT1 (0.38) ALDH1A1SOAT1MAPTLMNATSHR
SCHEMBL3769439 0.65 CREB1 (0.40) ALDH1A1SOAT1MAPTLMNATSHR
SCHEMBL11675493 0.65 ALDH1A1 (0.47) ALDH1A1MAPTGAAHTTHPGD
SCHEMBL4724587 0.65 MAPT (0.37) ALDH1A1SOAT1MAPTLMNATSHR

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 ALDH1A1 622/4885SOAT1 3558/4885MAPT 4361/4885

“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.