SCHEMBL188582

SCHEMBL188582

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX12 P18054 1/20 0.38
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GSR P00390 1/20 0.34
RPS6KA5 O75582 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PDE7A Q13946 1/20 0.32
LDHA P00338 1/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 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
SCHEMBL217160 0.90 MEN1 (0.40) MEN1KMT2AALDH1A1RPS6KA5KDM4E
SCHEMBL188840 0.90 MEN1 (0.40) MEN1KMT2AALDH1A1GSRRPS6KA5
SCHEMBL188238 0.86 MEN1 (0.39) MEN1KMT2AALDH1A1RPS6KA5RAB9A
SCHEMBL188388 0.85 MEN1 (0.41) MEN1KMT2AALOX12ALDH1A1RPS6KA5
SCHEMBL188952 0.84 MEN1 (0.39) MEN1KMT2A
SCHEMBL188485 0.83 MEN1 (0.40) MEN1KMT2AALDH1A1RPS6KA5KDM4E
SCHEMBL217847 0.83 MEN1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL188453 0.83 NPSR1 (0.39) MEN1KMT2AALDH1A1RPS6KA5KDM4E
SCHEMBL215424 0.82 MEN1 (0.38) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL216481 0.81 KMT2A (0.38) MEN1KMT2AALDH1A1RPS6KA5KDM4E

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 3701/4885ALOX12 1286/4885

“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.