SCHEMBL215424

SCHEMBL215424

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1ccc(CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.35
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
THRB P10828 1/20 0.31
AKT1 P31749 2/20 0.31
AKT2 P31751 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
PGR P06401 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL188840 0.86 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL217160 0.84 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL188582 0.82 MEN1 (0.39) MEN1KMT2AALDH1A1ALDH1A2ALDH1A3
SCHEMBL188952 0.82 MEN1 (0.39) MEN1KMT2A
SCHEMBL188388 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL217847 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL214613 0.80 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL188485 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL215334 0.80 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL188207 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTRXFP1

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 3701/4885ALDH1A1 1119/4885

“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.