SCHEMBL214613

SCHEMBL214613

CCn1c2ccccc2c2nc3nc(SC)ncc3c(=O)n21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 5/20 0.34
MAPK1 P28482 4/20 0.34
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34
STAT3 P40763 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PTGER4 P35408 2/20 0.32
CREBBP Q92793 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL212647 0.91 KMT2A (0.41) MEN1KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL215334 0.88 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8510032 0.87 MEN1 (0.39) MEN1KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL8512253 0.87 MEN1 (0.39) MEN1KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL216699 0.87 MEN1 (0.39) MEN1KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL216936 0.86 MEN1 (0.39) MEN1KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL188721 0.85 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL216800 0.82 MEN1 (0.36) MEN1KMT2AKDM4EMAPK1
SCHEMBL214993 0.82 MEN1 (0.42) MEN1KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL188388 0.81 MEN1 (0.41) MEN1KMT2AKDM4EMAPK1ALDH1A1

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 3701/4885KDM4E 1155/4885

“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.