SCHEMBL212647

SCHEMBL212647

CCCn1c2ccccc2c2nc3nc(SC)ncc3c(=O)n21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 7/20 0.35
STAT3 P40763 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 2/20 0.35
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
TSHR P16473 7/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 3/20 0.33
PLK1 P53350 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL214613 0.91 MEN1 (0.42) KMT2AMEN1KDM4EMAPK1ALDH1A1
SCHEMBL8512253 0.89 MEN1 (0.39) KMT2AMEN1KDM4EMAPK1ALDH1A1
SCHEMBL215334 0.86 MEN1 (0.42) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL188721 0.85 MEN1 (0.44) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL216699 0.85 MEN1 (0.39) KMT2AMEN1KDM4EMAPK1ALDH1A1
SCHEMBL8510032 0.85 MEN1 (0.39) KMT2AMEN1KDM4EMAPK1ALDH1A1
SCHEMBL216800 0.84 MEN1 (0.36) KMT2AMEN1KDM4EMAPK1
SCHEMBL216936 0.84 MEN1 (0.39) KMT2AMEN1KDM4EMAPK1ALDH1A1
SCHEMBL218807 0.83 DUT (0.35) KMT2AMEN1KDM4EMAPK1
SCHEMBL214993 0.80 MEN1 (0.42) KMT2AMEN1KDM4EMAPK1ALDH1A1

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 KMT2A 3701/4885MEN1 3601/4885KDM4E 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.