SCHEMBL219010

SCHEMBL219010

CSc1ncc2c(=O)n3c(nc2n1)c1ccc(F)cc1n3-c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC11A2 P49281 1/20 0.35
POLB P06746 2/20 0.33
DPP4 P27487 1/20 0.33
SPR P35270 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 1/20 0.31
PIK3CD O00329 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
KCNQ1 P51787 1/20 0.31
CACNA1C Q13936 1/20 0.31
MAT2A P31153 3/20 0.31
MAPK14 Q16539 1/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2875942 0.90 MEN1 (0.37) MEN1KMT2APOLBDPP4MAT2A
SCHEMBL188536 0.90 MEN1 (0.36) MEN1KMT2AALDH1A1POLBDPP4
SCHEMBL188485 0.89 MEN1 (0.40) MEN1KMT2AALDH1A1SLC11A2POLB
SCHEMBL188869 0.88 F2RL3 (0.36) MEN1KMT2AALDH1A1SLC11A2MAPT
SCHEMBL216006 0.85 POLB (0.40) MEN1KMT2AALDH1A1SLC11A2POLB
SCHEMBL188969 0.84 MEN1 (0.34) MEN1KMT2ADPP4
SCHEMBL188538 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1POLBDPP4
SCHEMBL2877876 0.83 SLC22A12 (0.35) MEN1KMT2ADPP4
SCHEMBL216705 0.83 PPARG (0.36) MEN1KMT2AALDH1A1HSD17B10GAA
SCHEMBL218024 0.82 CSF1R (0.35) MEN1KMT2AALDH1A1SLC11A2MAPT

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 3701/4885ALDH1A1 1119/4885

“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.