SCHEMBL8512253

SCHEMBL8512253

COCCn1c2ccccc2c2nc3nc(SC)ncc3c(=O)n21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP1A2 P05177 6/20 0.38
CYP3A4 P08684 5/20 0.38
USP2 O75604 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2C9 P11712 1/20 0.38
HBB P68871 1/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 8/20 0.36
HTT P42858 1/20 0.36
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
HIF1A Q16665 3/20 0.35

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
SCHEMBL212647 0.89 KMT2A (0.41) MEN1KMT2AUSP2LMNATDP1
SCHEMBL214613 0.87 MEN1 (0.42) MEN1KMT2ALMNATDP1HPGD
SCHEMBL216800 0.86 MEN1 (0.36) MEN1KMT2AMAPK1KDM4E
SCHEMBL215334 0.84 MEN1 (0.42) MEN1KMT2ALMNAHPGDKDM4E
SCHEMBL188721 0.83 MEN1 (0.44) MEN1KMT2ACYP1A2USP2LMNA
SCHEMBL8510032 0.83 MEN1 (0.39) MEN1KMT2AHPGDRXFP1MAPK1
SCHEMBL216699 0.83 MEN1 (0.39) MEN1KMT2ATDP1L3MBTL1HPGD
SCHEMBL218807 0.83 DUT (0.35) MEN1KMT2AMAPK1KDM4E
SCHEMBL216936 0.82 MEN1 (0.39) MEN1KMT2AUSP2TDP1L3MBTL1
SCHEMBL214993 0.78 MEN1 (0.42) MEN1KMT2ALMNATDP1MAPK1

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-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MEN1 3601/4885KMT2A 3701/4885CYP1A2 1318/4885

“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.