SCHEMBL7084470

SCHEMBL7084470

CC1(C)CCCN(c2ncnc3sc4c(c23)CCOC4)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.52
LIMK1 P53667 2/20 0.52
TSHR P16473 6/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 5/20 0.50
LMNA P02545 5/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
DRD2 P14416 1/20 0.46
KDM4E B2RXH2 3/20 0.44
NOD2 Q9HC29 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 1/20 0.42
MCL1 Q07820 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL5255486 0.86 ALDH1A1 (0.63) HTTLIMK1TSHRALDH1A1MAPK1
SCHEMBL10237222 0.69 HTT (0.82) HTTLIMK1TSHRALDH1A1MAPK1
SCHEMBL6315989 0.69 LIMK1 (0.69) HTTLIMK1TSHRALDH1A1MAPK1
SCHEMBL13641084 0.68 HTT (0.80) HTTLIMK1TSHRALDH1A1MAPK1
SCHEMBL13164948 0.68 HTT (0.75) HTTLIMK1TSHRALDH1A1MAPK1
SCHEMBL6322896 0.66 LIMK1 (0.68) HTTLIMK1TSHRALDH1A1MAPK1
SCHEMBL29353692 0.63 MEN1 (1.00) HTTTSHRALDH1A1MAPK1LMNA
SCHEMBL12789802 0.63 MEN1 (1.00) HTTTSHRALDH1A1MAPK1LMNA
SCHEMBL7661912 0.63 DRD2 (1.00) HTTTSHRALDH1A1MAPK1LMNA
SCHEMBL13641151 0.63 MEN1 (0.46) HTTLIMK1TSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTT 4454/4885LIMK1 3167/4885TSHR 3569/4885

“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.