SCHEMBL4720046

SCHEMBL4720046

CCOc1ccc[c]c1Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
POLB P06746 2/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL4723742 0.88 SLC6A9 (0.36) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL4724774 0.86 CYP1A2 (0.45) ALDH1A1MAPTLMNACYP2C19CYP1A2
SCHEMBL4720824 0.81 CA1 (0.41) ALDH1A1L3MBTL1TSHRMAPTTP53
SCHEMBL4722941 0.78 IFNAR1 (0.40) ALDH1A1TSHRNPSR1MAPTLMNA
SCHEMBL9717727 0.77 LMNA (0.37) ALDH1A1L3MBTL1TSHRLMNAHTR1A
SCHEMBL11172355 0.72 TSHR (0.35) ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL11382454 0.71 ALDH1A1 (0.44) ALDH1A1L3MBTL1GLANPSR1MAPT
SCHEMBL16581494 0.71
SCHEMBL16581510 0.71 ALDH1A1 (0.36) ALDH1A1L3MBTL1NPSR1MAPTLMNA
SCHEMBL8573788 0.70 SLC6A9 (0.37) ALDH1A1L3MBTL1GLATSHRNPSR1

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 622/4885L3MBTL1 3954/4885GLA 3834/4885

“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.