SCHEMBL188453

SCHEMBL188453

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3-c1ncccc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RPS6KA5 O75582 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PDE7A Q13946 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 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
SCHEMBL188388 0.86 MEN1 (0.41) MEN1KMT2ARPS6KA5ALDH1A1POLB
SCHEMBL188485 0.85 MEN1 (0.40) MEN1KMT2ARPS6KA5ALDH1A1POLB
SCHEMBL188582 0.83 MEN1 (0.39) MEN1KMT2ARPS6KA5ALDH1A1CYP2C19
SCHEMBL188840 0.82 MEN1 (0.40) MEN1KMT2ARPS6KA5ALDH1A1KDM4E
SCHEMBL188207 0.82 MEN1 (0.39) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL216538 0.81 SMN1; SMN2 (0.43) NPSR1MEN1KMT2ARPS6KA5ALDH1A1
SCHEMBL188238 0.81 MEN1 (0.39) MEN1KMT2ARPS6KA5ALDH1A1KDM4E
SCHEMBL8510427 0.81 KMT2A (0.39) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL217160 0.81 MEN1 (0.40) MEN1KMT2ARPS6KA5ALDH1A1CYP2C9
SCHEMBL216481 0.80 KMT2A (0.38) NPSR1MEN1KMT2ARPS6KA5ALDH1A1

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 NPSR1 4157/4885MEN1 3601/4885KMT2A 3701/4885

“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.