SCHEMBL215623

SCHEMBL215623

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1cccc(NO)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 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
SCHEMBL188207 0.87 MEN1 (0.39) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL188485 0.84 MEN1 (0.40) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL8512646 0.84 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL215484 0.83 WEE1 (0.35) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL8511209 0.82 KMT2A (0.36) MEN1KMT2AMAPTNPC1
SCHEMBL188238 0.81 MEN1 (0.39) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8510427 0.81 KMT2A (0.39) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL188388 0.80 MEN1 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL188567 0.80 MEN1 (0.38) MEN1KMT2A
SCHEMBL216538 0.79 SMN1; SMN2 (0.43) MEN1KMT2AMAPTKDM4ELMNA

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 3701/4885MAPT 4723/4885

“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.