SCHEMBL216481

SCHEMBL216481

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37
MPI P34949 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
HPGD P15428 2/20 0.36
SLC11A2 P49281 1/20 0.34
HSD17B10 Q99714 2/20 0.32
S1PR4 O95977 1/20 0.32
GLA P06280 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL188388 0.84 MEN1 (0.41) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL188952 0.83 MEN1 (0.39) KMT2AMEN1
SCHEMBL188485 0.82 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL188840 0.82 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL188238 0.81 MEN1 (0.39) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL188582 0.81 MEN1 (0.39) KMT2AMEN1KDM4EALDH1A1CASP1
SCHEMBL217160 0.81 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL188453 0.80 NPSR1 (0.39) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL188567 0.80 MEN1 (0.38) KMT2AMEN1
SCHEMBL213398 0.80 MEN1 (0.38) KMT2AMEN1KDM4EMAPTRPS6KA5

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 3701/4885MEN1 3601/4885KDM4E 1155/4885

“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.