SCHEMBL221996

SCHEMBL221996

CSc1ncc2c(=O)n3c(nc2n1)c1ccc(OCCOC2CCCCO2)cc1n3-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
WEE1 P30291 1/20 0.35
P2RX3 P56373 4/20 0.33
CHEK1 O14757 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MET P08581 1/20 0.31
HTR3A P46098 2/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL216015 0.94 KDM4C (0.38) KDM4CNPC1RAB9AWEE1P2RX3
SCHEMBL215794 0.87 WEE1 (0.36) KDM4CNPC1RAB9AWEE1P2RX3
SCHEMBL188869 0.81 F2RL3 (0.36) MEN1KMT2AL3MBTL1
SCHEMBL215920 0.80 TNK2 (0.47)
SCHEMBL2877876 0.79 SLC22A12 (0.35) MEN1KMT2A
SCHEMBL218024 0.78 CSF1R (0.35) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL188969 0.77 MEN1 (0.34) MEN1KMT2A
SCHEMBL215557 0.77 WEE1 (0.46) WEE1
SCHEMBL2875942 0.76 MEN1 (0.37) MEN1KMT2A
SCHEMBL188536 0.76 MEN1 (0.36) 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 KDM4C 2722/4885NPC1 4341/4885RAB9A 2226/4885

“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.