SCHEMBL188485

SCHEMBL188485

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
DPP4 P27487 1/20 0.35
RPS6KA5 O75582 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PTK2 Q05397 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
SLC11A2 P49281 1/20 0.31
HSD11B1 P28845 1/20 0.30
EP300 Q09472 1/20 0.30
KAT2B Q92831 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
SCHEMBL188238 0.90 MEN1 (0.39) MEN1KMT2ARPS6KA5ALDH1A1SMN1; SMN2
SCHEMBL188388 0.89 MEN1 (0.41) MEN1KMT2AMAPK1DPP4RPS6KA5
SCHEMBL219010 0.89 MEN1 (0.37) MEN1KMT2AGAAMAPK1DPP4
SCHEMBL2875942 0.89 MEN1 (0.37) MEN1KMT2AGAAMAPK1DPP4
SCHEMBL188207 0.88 MEN1 (0.39) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL188538 0.88 MEN1 (0.36) MEN1KMT2AGAAMAPK1DPP4
SCHEMBL188536 0.88 MEN1 (0.36) MEN1KMT2AGAAMAPK1DPP4
SCHEMBL216538 0.88 SMN1; SMN2 (0.43) MEN1KMT2AGAADPP4RPS6KA5
SCHEMBL2871226 0.88 MEN1 (0.38) MEN1KMT2AGAAMAPK1DPP4
SCHEMBL8510427 0.88 KMT2A (0.39) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1

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 MEN1 3601/4885KMT2A 3701/4885GAA 3616/4885

“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.