SCHEMBL217160

SCHEMBL217160

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1cncnc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C19 P33261 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP2C9 P11712 2/20 0.30
RPS6KA5 O75582 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL188582 0.90 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL188840 0.89 MEN1 (0.40) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL188952 0.85 MEN1 (0.39) MEN1KMT2A
SCHEMBL188388 0.85 MEN1 (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL217847 0.85 MEN1 (0.38) MEN1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL215424 0.84 MEN1 (0.38) MEN1KMT2ATSHRKDM4ELMNA
SCHEMBL188238 0.83 MEN1 (0.39) MEN1KMT2AKDM4EALDH1A1RPS6KA5
SCHEMBL188485 0.83 MEN1 (0.40) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL188207 0.82 MEN1 (0.39) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL188721 0.82 MEN1 (0.44) MEN1KMT2ACYP1A2USP2TSHR

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 3701/4885CYP1A2 1318/4885

“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.