SCHEMBL5255486

SCHEMBL5255486

CC1(C)CCCN(c2ncnc3sc4c(c23)CCCC4)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
TSHR P16473 5/20 0.63
MAPK1 P28482 5/20 0.63
LMNA P02545 5/20 0.63
HTT P42858 6/20 0.62
DRD2 P14416 1/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 5/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HSD17B10 Q99714 3/20 0.53
GAA P10253 2/20 0.53
ALOX15 P16050 2/20 0.53
ALOX12 P18054 1/20 0.53
MCL1 Q07820 1/20 0.53
HPGD P15428 3/20 0.52
GPR55 Q9Y2T6 1/20 0.51
POLB P06746 1/20 0.48

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
SCHEMBL7084470 0.86 HTT (0.52) ALDH1A1TSHRMAPK1LMNAHTT
SCHEMBL10237222 0.83 HTT (0.82) ALDH1A1TSHRMAPK1LMNAHTT
SCHEMBL13641084 0.82 HTT (0.80) ALDH1A1TSHRMAPK1LMNAHTT
SCHEMBL13164948 0.79 HTT (0.75) ALDH1A1TSHRMAPK1LMNAHTT
SCHEMBL7661912 0.76 DRD2 (1.00) ALDH1A1TSHRMAPK1LMNAHTT
SCHEMBL12789802 0.75 MEN1 (1.00) ALDH1A1TSHRMAPK1LMNAHTT
SCHEMBL16406276 0.74 ALDH1A1 (0.68) ALDH1A1TSHRMAPK1LMNAHTT
SCHEMBL18313846 0.73 HTT (0.65) ALDH1A1TSHRMAPK1LMNAHTT
SCHEMBL13640907 0.72 HTT (0.63) ALDH1A1TSHRMAPK1LMNAHTT
SCHEMBL13641058 0.72 HTT (0.67) ALDH1A1TSHRMAPK1LMNAHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401840-A4 NOVEL 4-AMINO-5,6-SUBSTITUTED THIOPHENO 2,3-D|PYRIMIDINES BAYER CORP (US) 2007-05-16 EP claimed
EP-1401840-A1 NOVEL 4-AMINO-5,6-SUBSTITUTED THIOPHENO 2,3-D]PYRIMIDINES Bayer Corporation (US) 2004-03-31 EP claimed
US-20030119829-A1 4-amino-5,6-substituted thiopheno [2,3-d] pyrimidines, pharmaceutical compositions containing the same, and their use in the treatment or prevention of PDE7B-mediated diseases and conditions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-06-26 US claimed
WO-2002088138-A1 NOVEL 4-AMINO-5,6-SUBSTITUTED THIOPHENO[2,3-D]PYRIMIDINES BAYER CORPORATION (US) 2002-11-07 WO claimed

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-20030119829-A1 4-amino-5,6-substituted thiopheno [2,3-d] pyrimidines, pharmaceutical compositions containing the same, and their use in the treatment or prevention of PDE7B-mediated diseases and conditions PDE7B, PDE4B, PDE7A ALDH1A1 1393/4885TSHR 3569/4885MAPK1 1840/4885

“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.