SCHEMBL215484

SCHEMBL215484

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1cccc(C(=O)N(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
MAPT P10636 3/20 0.31
OGA O60502 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NTRK1 P04629 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
SCHEMBL220502 0.86 KMT2A (0.38) MEN1KMT2ASMN1; SMN2EGFRSRC
SCHEMBL188207 0.85 MEN1 (0.39) MEN1KMT2ASMN1; SMN2RXFP1MAPT
SCHEMBL215623 0.83 MEN1 (0.36) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL188485 0.82 MEN1 (0.40) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL8512646 0.81 MEN1 (0.37) WEE1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8511209 0.80 KMT2A (0.36) MEN1KMT2AMAPT
SCHEMBL8510427 0.78 KMT2A (0.39) MEN1KMT2ASMN1; SMN2RXFP1MAPT
SCHEMBL188238 0.78 MEN1 (0.39) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL188388 0.78 MEN1 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL188567 0.78 MEN1 (0.38) MEN1KMT2A

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 WEE1 1/4885MEN1 3601/4885KMT2A 3701/4885

“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.