SCHEMBL215576

SCHEMBL215576

COC(=O)c1cccc2c1c1nc3nc([S+](C)[O-])ncc3c(=O)n1n2-c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 8/20 0.34
KDM4E B2RXH2 6/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.31
HSD17B10 Q99714 3/20 0.31
ALOX15 P16050 1/20 0.31
PDE5A O76074 1/20 0.31
GLA P06280 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
SCHEMBL215643 0.85 TSHR (0.35) TSHRGAAPOLBALDH1A1KDM4E
SCHEMBL8511947 0.84 POLB (0.39) TSHRGAAPOLBALDH1A1KDM4E
SCHEMBL189117 0.84 POLB (0.39) TSHRGAAPOLBALDH1A1KDM4E
SCHEMBL216546 0.77 WEE1 (0.55)
SCHEMBL8513198 0.70 MEN1 (0.37) GAAPOLBALDH1A1KDM4EMAPT
SCHEMBL216006 0.69 POLB (0.40) TSHRGAAPOLBALDH1A1KDM4E
SCHEMBL2871226 0.69 MEN1 (0.38) GAAPOLBALDH1A1KDM4E
SCHEMBL219529 0.69 WEE1 (0.56) MAPK10
SCHEMBL8510234 0.69 MEN1 (0.35) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL8514170 0.69 WEE1 (0.56)

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 TSHR 1156/4885GAA 3616/4885POLB 676/4885

“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.