SCHEMBL2884555

SCHEMBL2884555

COc1cccc(-c2cccc(-c3cc4ccnn4c(SC)n3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
WDR5 P61964 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
TOP1 P11387 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
CYP19A1 P11511 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
SCHEMBL2215466 0.94 MAPT (0.41) CCNT1CDK9MAPTTP53WDR5
SCHEMBL2214089 0.92 MAPT (0.44) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2212656 0.86 SMN1; SMN2 (0.35) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2213882 0.83 SMN1; SMN2 (0.45) CCNT1CDK9MAPTTP53GAA
SCHEMBL2213701 0.80 CDK2 (0.44) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL2212035 0.78 SMN1; SMN2 (0.39) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2880093 0.77 RAD52 (0.48) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL2216178 0.75 DHODH (0.43) CCNT1CDK9MAPTGAAKDM4E
SCHEMBL2214323 0.74 ALDH1A1 (0.41) CCNT1CDK9MAPTGAAKDM4E
SCHEMBL2213284 0.73 NPC1 (0.38) MAPTTP53GAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 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 (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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 CCNT1 16/4885CDK9 285/4885MAPT 3832/4885

“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.