SCHEMBL6068285

SCHEMBL6068285

CCOC(=O)c1sc(Nc2nc(Cl)cc(Cl)n2)nc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
ALDH1A1 P00352 7/20 0.72
KDM4E B2RXH2 6/20 0.72
LMNA P02545 3/20 0.67
DHODH Q02127 5/20 0.64
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
HPGD P15428 3/20 0.62
NPSR1 Q6W5P4 3/20 0.60
PDE5A O76074 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.54

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
SCHEMBL6068252 0.93 MAPT (0.66) MAPTALDH1A1KDM4ELMNADHODH
SCHEMBL6068519 0.90 MAPT (0.62) MAPTALDH1A1KDM4ELMNADHODH
SCHEMBL6068333 0.89 MAPT (0.61) MAPTALDH1A1KDM4ELMNADHODH
SCHEMBL6625238 0.89 MAPT (0.61) MAPTALDH1A1KDM4ELMNADHODH
SCHEMBL6068363 0.84 MAPT (0.56) MAPTALDH1A1KDM4ELMNADHODH
SCHEMBL6068453 0.84 PDE5A (0.68) MAPTALDH1A1KDM4ELMNADHODH
SCHEMBL6068228 0.84 MAPT (0.55) MAPTALDH1A1KDM4ELMNADHODH
SCHEMBL6068376 0.83 MAPT (0.54) MAPTALDH1A1KDM4ELMNADHODH
SCHEMBL6607221 0.81 CRHR1 (0.69) MAPTALDH1A1KDM4ELMNADHODH
SCHEMBL2207419 0.81 MAPT (0.60) MAPTALDH1A1KDM4ELMNADHODH

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-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 US disclosed
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 US disclosed
US-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 BRISTOL-MYERS SQUIBB COMPANY 2003-06-05 US 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 (2 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-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 PDE4A, PDE4B, PDE7B MAPT 2757/4885ALDH1A1 1814/4885KDM4E 477/4885
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 PDE7A, PDE7B, PDE3A MAPT 4514/4885ALDH1A1 475/4885KDM4E 1254/4885

“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.