SCHEMBL220502

SCHEMBL220502

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1ccc(C(=O)N(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
EGLN1 Q9GZT9 1/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PARP1 P09874 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.30
PMM2 O15305 1/20 0.30
MPI P34949 1/20 0.30
PHOSPHO1 Q8TCT1 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL215484 0.86 WEE1 (0.35) KMT2AMEN1SMN1; SMN2EGFRSRC
SCHEMBL8510427 0.84 KMT2A (0.39) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL188485 0.82 MEN1 (0.40) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL188207 0.79 MEN1 (0.39) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL188238 0.78 MEN1 (0.39) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL188388 0.78 MEN1 (0.41) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL188567 0.78 MEN1 (0.38) KMT2AMEN1
SCHEMBL188721 0.77 MEN1 (0.44) KMT2AMEN1SMN1; SMN2LMNAKDM4E
SCHEMBL215623 0.77 MEN1 (0.36) KMT2AMEN1SMN1; SMN2LMNAKDM4E
SCHEMBL216538 0.77 SMN1; SMN2 (0.43) KMT2AMEN1GAASMN1; SMN2LMNA

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 4 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
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO 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 KMT2A 3701/4885EGLN1 1728/4885MEN1 3601/4885

“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.