SCHEMBL8514192

SCHEMBL8514192

Cc1ccnc(-n2c3ccccc3c3nc4nc(Nc5ccc(N6CCN(C)CC6)c(C)c5)ncc4c(=O)n32)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.49
JAK3 P52333 2/20 0.49
TNK2 Q07912 7/20 0.47
WEE1 P30291 3/20 0.45
EGFR P00533 4/20 0.44
TTK P33981 1/20 0.44
SLC2A1 P11166 1/20 0.44
LCK P06239 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
MAPK14 Q16539 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL215533 0.93 TNK2 (0.48) JAK2JAK3TNK2WEE1EGFR
SCHEMBL8513062 0.92 TNK2 (0.48) JAK2JAK3TNK2WEE1EGFR
SCHEMBL8511325 0.90 TNK2 (0.48) JAK2JAK3TNK2WEE1SLC2A1
SCHEMBL187898 0.89 TNK2 (0.48) JAK2JAK3TNK2WEE1EGFR
SCHEMBL8509340 0.89 WEE1 (0.50) JAK2JAK3TNK2WEE1EGFR
SCHEMBL8513556 0.88 TNK2 (0.46) JAK2JAK3TNK2WEE1EGFR
SCHEMBL8510506 0.87 TNK2 (0.48) JAK2JAK3TNK2WEE1EGFR
SCHEMBL8509417 0.87 TNK2 (0.48) JAK2JAK3TNK2WEE1EGFR
SCHEMBL8510491 0.87 WEE1 (0.48) JAK2JAK3TNK2WEE1EGFR
SCHEMBL8510401 0.87 TNK2 (0.51) JAK2JAK3TNK2WEE1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 JAK2 137/4885JAK3 121/4885TNK2 170/4885

“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.