SCHEMBL188869

SCHEMBL188869

COc1ccc2c(c1)n(-c1ccccn1)n1c(=O)c3cnc(SC)nc3nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.36
SLC11A2 P49281 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE10A Q9Y233 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
PTK2 Q05397 2/20 0.33
MAPT P10636 3/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 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
SCHEMBL218024 0.92 CSF1R (0.35) F2RL3SLC11A2ALDH1A1KDM4EL3MBTL1
SCHEMBL2877876 0.88 SLC22A12 (0.35) MEN1KMT2A
SCHEMBL219010 0.88 MEN1 (0.37) SLC11A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2875942 0.88 MEN1 (0.37) MEN1KMT2APTK2
SCHEMBL216705 0.87 PPARG (0.36) ALDH1A1KDM4EMEN1KMT2ACYP2C9
SCHEMBL188969 0.87 MEN1 (0.34) F2RL3MEN1KMT2A
SCHEMBL188536 0.87 MEN1 (0.36) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL188485 0.86 MEN1 (0.40) SLC11A2ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL216006 0.86 POLB (0.40) SLC11A2ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL185972 0.85 CSF1R (0.35) SLC11A2ALDH1A1KDM4EL3MBTL1KMT2A

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 F2RL3 2681/4885SLC11A2 3040/4885ALDH1A1 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.