SCHEMBL217847

SCHEMBL217847

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PLA2G1B P04054 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL188840 0.85 MEN1 (0.40) MEN1KMT2AALDH1A1LMNA
SCHEMBL217160 0.85 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL188952 0.83 MEN1 (0.39) MEN1KMT2A
SCHEMBL188582 0.83 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL188388 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL215424 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL188485 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL188207 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL188721 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL216538 0.79 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1LMNAGAA

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.