SCHEMBL216411

SCHEMBL216411

CN1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ccoc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.48
LCK P06239 7/20 0.48
KDR P35968 4/20 0.48
WEE1 P30291 9/20 0.48
LYN P07948 1/20 0.47
KIT P10721 1/20 0.47
BRAF P15056 1/20 0.47
TYK2 P29597 1/20 0.47
ZAP70 P43403 1/20 0.47
SYK P43405 1/20 0.47
JAK3 P52333 1/20 0.47
MAPK10 P53779 1/20 0.47
TEK Q02763 1/20 0.47
BTK Q06187 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAP3K7 O43318 1/20 0.47
FGFR1 P11362 1/20 0.47
KCNH2 Q12809 1/20 0.46
CCND3 P30281 2/20 0.46
CDK4 P11802 1/20 0.46

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
SCHEMBL214554 0.87 WEE1 (0.53) SRCLCKKDRWEE1LYN
SCHEMBL8513247 0.86 LCK (0.54) SRCLCKKDRWEE1LYN
SCHEMBL8513059 0.86 WEE1 (0.52) SRCLCKKDRWEE1LYN
SCHEMBL217029 0.85 WEE1 (0.58) SRCLCKKDRWEE1LYN
SCHEMBL215998 0.84 WEE1 (0.55) SRCLCKKDRWEE1LYN
SCHEMBL8514111 0.84 WEE1 (0.52) SRCLCKKDRWEE1LYN
SCHEMBL214505 0.83 LCK (0.48) SRCLCKKDRWEE1LYN
SCHEMBL8511335 0.82 WEE1 (0.52) SRCLCKKDRWEE1LYN
SCHEMBL9609431 0.82 WEE1 (0.49) SRCLCKKDRWEE1LYN
SCHEMBL8509752 0.81 WEE1 (0.56) SRCLCKKDRWEE1LYN

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US claimed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US claimed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP claimed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO claimed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
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
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US 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 SRC 546/4885LCK 540/4885KDR 817/4885

“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.