SCHEMBL4722941

SCHEMBL4722941

CCOc1ccc[c]c1Sc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
TSHR P16473 1/20 0.38
HTR1B P28222 5/20 0.38
ENPP1 P22413 1/20 0.37
HTR1D P28221 2/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 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
SCHEMBL4724534 0.89 HTR1B (0.44) IFNAR1HTR1BHTR1D
SCHEMBL4765333 0.88 HTR1B (0.47) HTR1BHTR1D
SCHEMBL4721972 0.84 BRAF (0.41) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL4720046 0.78 ALDH1A1 (0.41) ALDH1A1LMNATSHRMAPTNPSR1
SCHEMBL18065342 0.77 IFNAR1 (0.46) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL2256393 0.74 ALDH1A1 (0.46) ALDH1A1DRD2DRD4DRD3MAPT
SCHEMBL45343 0.73 HTR1B (0.61) ALDH1A1TSHRHTR1BHTR1D
SCHEMBL27464937 0.71 HTR1B (0.59) ALDH1A1TSHRHTR1BHTR1D
SCHEMBL27808490 0.71 HTR1B (0.59) ALDH1A1TSHRHTR1BHTR1D
SCHEMBL27808344 0.71 HTR1B (0.59) ALDH1A1TSHRHTR1BHTR1D

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 IFNAR1 740/4885ALDH1A1 622/4885LMNA 2692/4885

“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.