SCHEMBL188536

SCHEMBL188536

CSc1ncc2c(=O)n3c(nc2n1)c1ccc(O)cc1n3-c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.31
MAT2A P31153 2/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
MPL P40238 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL188538 0.93 MEN1 (0.36) MEN1KMT2ADPP4POLBALDH1A1
SCHEMBL219010 0.90 MEN1 (0.37) MEN1KMT2ADPP4POLBMAT2A
SCHEMBL2875942 0.90 MEN1 (0.37) MEN1KMT2ADPP4POLBMAT2A
SCHEMBL188485 0.88 MEN1 (0.40) MEN1KMT2ADPP4POLBALDH1A1
SCHEMBL188869 0.87 F2RL3 (0.36) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL216006 0.86 POLB (0.40) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL2877876 0.84 SLC22A12 (0.35) MEN1KMT2ADPP4
SCHEMBL8513198 0.84 MEN1 (0.37) MEN1KMT2ADPP4POLBALDH1A1
SCHEMBL216705 0.84 PPARG (0.36) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL218024 0.83 CSF1R (0.35) MEN1KMT2AALDH1A1KDM4ELMNA

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 3701/4885DPP4 4375/4885

“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.