SCHEMBL2881702

SCHEMBL2881702

COc1ccc(-c2ccc(-c3cc4ccnn4c(S(C)(=O)=O)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 2/20 0.41
PAX8 Q06710 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DYRK1A Q13627 1/20 0.39
ENPP3 O14638 1/20 0.39
LMNA P02545 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
SCHEMBL2209412 0.92 ABL1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2214323 0.90 ALDH1A1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2214081 0.86 SCD (0.42) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2213323 0.85 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL2876715 0.83 PLCG1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2211698 0.82 DHODH (0.44) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL2877008 0.77 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2213882 0.77 SMN1; SMN2 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2215071 0.76 ALOX5 (0.42) HPGDSMN1; SMN2KMT2AENPP3NPC1
SCHEMBL2213858 0.75 CDK2 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A

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 KDM4E 3784/4885ALDH1A1 1334/4885HPGD 788/4885

“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.