SCHEMBL215643

SCHEMBL215643

COC(=O)c1cccc2c1c1nc3nc(SC)ncc3c(=O)n1n2-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
SLC40A1 Q9NP59 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.32
MAPK10 P53779 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
SCHEMBL8513198 0.86 MEN1 (0.37) POLBGAAALDH1A1MAPTKDM4E
SCHEMBL215576 0.85 TSHR (0.34) TSHRPOLBGAAALDH1A1MAPT
SCHEMBL2871226 0.85 MEN1 (0.38) POLBGAAALDH1A1KDM4EKMT2A
SCHEMBL219275 0.84 POLB (0.40) TSHRPOLBGAAALDH1A1MAPT
SCHEMBL216006 0.84 POLB (0.40) TSHRPOLBGAAALDH1A1MAPT
SCHEMBL8510234 0.83 MEN1 (0.35) TSHRALDH1A1MAPTTDP1HPGD
SCHEMBL188485 0.82 MEN1 (0.40) POLBGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL215726 0.78 MEN1 (0.34) KMT2AMEN1
SCHEMBL216546 0.78 WEE1 (0.55) SRC
SCHEMBL188869 0.78 F2RL3 (0.36) TSHRALDH1A1MAPTSMN1; SMN2HPGD

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 1156/4885POLB 676/4885GAA 3616/4885

“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.