SCHEMBL2877876

SCHEMBL2877876

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.35
PSEN1 P49768 12/20 0.35
PSEN2 P49810 12/20 0.35
APH1B Q8WW43 12/20 0.35
NCSTN Q92542 12/20 0.35
APH1A Q96BI3 12/20 0.35
PSENEN Q9NZ42 12/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTPN7 P35236 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
METAP1 P53582 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
DPP4 P27487 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
SCHEMBL2879664 0.93 MEN1 (0.34) SLC22A12PSEN1PSEN2APH1BNCSTN
SCHEMBL188869 0.88 F2RL3 (0.36) MEN1KMT2A
SCHEMBL216705 0.88 PPARG (0.36) SLC22A12MEN1KMT2A
SCHEMBL218024 0.85 CSF1R (0.35) MEN1KMT2A
SCHEMBL188969 0.85 MEN1 (0.34) MEN1KMT2ADPP4
SCHEMBL188536 0.84 MEN1 (0.36) MEN1KMT2ADPP4
SCHEMBL8510234 0.84 MEN1 (0.35) MEN1KMT2ADPP4
SCHEMBL219010 0.83 MEN1 (0.37) MEN1KMT2ADPP4
SCHEMBL2875942 0.83 MEN1 (0.37) MEN1KMT2ADPP4
SCHEMBL216006 0.83 POLB (0.40) MEN1KMT2A

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 3 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
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 SLC22A12 4345/4885PSEN1 4866/4885PSEN2 4860/4885

“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.