SCHEMBL188207

SCHEMBL188207

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1cccc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
RECQL P46063 1/20 0.32
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 2/20 0.31
BLM P54132 1/20 0.31
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL188485 0.88 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8512646 0.88 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL215623 0.87 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8510427 0.87 KMT2A (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8511209 0.86 KMT2A (0.36) MEN1KMT2AMAPTNPC1
SCHEMBL216538 0.85 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL215484 0.85 WEE1 (0.35) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL188238 0.84 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL188388 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL188567 0.84 MEN1 (0.38) 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 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 MEN1 3601/4885KMT2A 3701/4885ALDH1A1 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.