SCHEMBL9609435

SCHEMBL9609435

CN1CCC(n2cc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ncccn3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 8/20 0.45
KDR P35968 6/20 0.45
EGFR P00533 1/20 0.44
MAPK6 Q16659 3/20 0.43
JAK3 P52333 4/20 0.43
IRAK4 Q9NWZ3 2/20 0.41
NUAK1 O60285 1/20 0.41
CDK1 P06493 1/20 0.40
IGF1R P08069 1/20 0.40
CDK2 P24941 1/20 0.40
CDK8 P49336 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL8514433 0.85 WEE1 (0.53) FLT4KDRKCNH2
SCHEMBL214554 0.82 WEE1 (0.53) KDRJAK3CDK2CDK9KCNH2
SCHEMBL188583 0.81 WEE1 (0.46) KDRJAK3
SCHEMBL216994 0.80 WEE1 (0.48)
SCHEMBL8513220 0.80 CAMK2D (0.43) KDRIGF1RCDK2KCNH2
SCHEMBL189352 0.80 WEE1 (0.52)
SCHEMBL214363 0.79 WEE1 (0.50)
SCHEMBL187898 0.79 TNK2 (0.48) KDREGFRJAK3
SCHEMBL8514666 0.78 JAK3 (0.43) KDRJAK3KCNH2
SCHEMBL8513510 0.78 FLT3 (0.48) JAK3CDK9

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 5 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

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 FLT4 654/4885KDR 817/4885EGFR 425/4885

“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.