SCHEMBL213398

SCHEMBL213398

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1nccn1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RPS6KA5 O75582 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 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
SCHEMBL188388 0.84 MEN1 (0.41) MEN1KMT2ARPS6KA5KDM4ELMNA
SCHEMBL188485 0.82 MEN1 (0.40) MEN1KMT2ARPS6KA5KDM4ELMNA
SCHEMBL188840 0.82 MEN1 (0.40) MEN1KMT2ARPS6KA5KDM4ELMNA
SCHEMBL188721 0.82 MEN1 (0.44) MEN1KMT2ARPS6KA5KDM4ELMNA
SCHEMBL188207 0.82 MEN1 (0.39) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL188238 0.81 MEN1 (0.39) MEN1KMT2ARPS6KA5KDM4E
SCHEMBL188582 0.81 MEN1 (0.39) MEN1KMT2ARPS6KA5KDM4E
SCHEMBL217160 0.81 MEN1 (0.40) MEN1KMT2ARPS6KA5KDM4ELMNA
SCHEMBL216481 0.80 KMT2A (0.38) MEN1KMT2ARPS6KA5KDM4EMAPT
SCHEMBL188453 0.80 NPSR1 (0.39) MEN1KMT2ARPS6KA5KDM4ELMNA

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 3701/4885RPS6KA5 149/4885

“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.