SCHEMBL216538

SCHEMBL216538

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1cc(C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
DPP4 P27487 2/20 0.40
LMNA P02545 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 3/20 0.33
NPSR1 Q6W5P4 3/20 0.32
HTT P42858 2/20 0.32
S1PR4 O95977 1/20 0.32
GAA P10253 1/20 0.32
PABPC1 P11940 1/20 0.32
S1PR1 P21453 1/20 0.32
HPGD P15428 1/20 0.32
VHL P40337 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
SCHEMBL188485 0.88 MEN1 (0.40) SMN1; SMN2DPP4LMNAALDH1A1MAPT
SCHEMBL8510427 0.86 KMT2A (0.39) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL188238 0.86 MEN1 (0.39) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL188207 0.85 MEN1 (0.39) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL188388 0.83 MEN1 (0.41) DPP4LMNAALDH1A1MAPTKDM4E
SCHEMBL188840 0.82 MEN1 (0.40) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL188453 0.81 NPSR1 (0.39) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL188567 0.81 MEN1 (0.38) MEN1KMT2A
SCHEMBL188582 0.80 MEN1 (0.39) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL217160 0.80 MEN1 (0.40) LMNAALDH1A1MAPTKDM4EMEN1

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 SMN1; SMN2 4848/4885DPP4 4375/4885LMNA 4499/4885

“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.