SCHEMBL3139450

SCHEMBL3139450

COC(=O)C1CCCc2sccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.37
HTR2C P28335 5/20 0.36
MAPK1 P28482 1/20 0.35
PDE7A Q13946 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6287208 0.91 KMT2A (0.44) KMT2AHTR2CALDH1A1MAPTKDM4E
SCHEMBL23460078 0.77 KDM4E (0.50) KMT2AHTR2CALDH1A1MAPTKDM4E
SCHEMBL2166539 0.77 NPC1 (0.44) KMT2ALMNAALDH1A1MAPTKDM4E
SCHEMBL3143474 0.76 ALDH1A1 (0.31) KMT2AUSP2MAPK1ALDH1A1MAPT
SCHEMBL3147488 0.74 HSD17B10 (0.52) LMNAHTR2CMAPK1ALDH1A1MAPT
SCHEMBL3139107 0.74 KDM4E (0.41) KMT2ALMNAALDH1A1MAPTKDM4E
SCHEMBL15475264 0.74 THRB (0.38) KMT2AMAPK1ALDH1A1MAPTKDM4E
SCHEMBL7120249 0.73 KMT2A (0.52) KMT2AHTR2CPDE7AALDH1A1MAPT
SCHEMBL4873180 0.73 ALDH1A1 (0.42) KMT2ALMNAUSP2MAPK1ALDH1A1
SCHEMBL11533101 0.73 KMT2A (0.40) KMT2APDE7AALDH1A1MAPTKDM4E

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-8546410-B2 Heteroaryl-fused macrocyclic pyrimidine derivatives ABBVIE INC. (US) 2013-10-01 US disclosed
US-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-07 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-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES CDK2, DPYD, CCNB1 KMT2A 2254/4885LMNA 1054/4885USP2 4655/4885

“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.