SCHEMBL215794

SCHEMBL215794

CSc1ncc2c(=O)n3c(nc2n1)c1c(OCCOC2CCCCO2)cccc1n3-c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX3 P56373 2/20 0.31

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
SCHEMBL216015 0.87 KDM4C (0.38) WEE1KDM4CL3MBTL1NPC1RAB9A
SCHEMBL221996 0.87 KDM4C (0.38) WEE1KDM4CL3MBTL1NPC1RAB9A
SCHEMBL213514 0.82 WEE1 (0.47) WEE1
SCHEMBL215726 0.76 MEN1 (0.34)
SCHEMBL2871226 0.76 MEN1 (0.38)
SCHEMBL188485 0.74 MEN1 (0.40) L3MBTL1
SCHEMBL215643 0.73 TSHR (0.35)
SCHEMBL215557 0.70 WEE1 (0.46) WEE1
SCHEMBL188869 0.68 F2RL3 (0.36) L3MBTL1
SCHEMBL215920 0.68 TNK2 (0.47)

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 WEE1 1/4885KDM4C 2722/4885L3MBTL1 1698/4885

“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.