SCHEMBL9609432

SCHEMBL9609432

Cc1cc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2ncccn2)ccc1N1CCN(C2CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.46
TNK2 Q07912 8/20 0.44
TTK P33981 1/20 0.43
KCNH2 Q12809 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 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
SCHEMBL8512662 0.93 EGFR (0.45) EGFRTNK2TTKKCNH2CDK4
SCHEMBL187898 0.91 TNK2 (0.48) EGFRTNK2TTK
SCHEMBL8512740 0.86 TNK2 (0.41) EGFRTNK2TTKKCNH2
SCHEMBL9609441 0.84 TTK (0.52) EGFRTNK2TTK
SCHEMBL215533 0.84 TNK2 (0.48) EGFRTNK2TTK
SCHEMBL8512769 0.83 EGFR (0.40) EGFRTNK2TTKKCNH2
SCHEMBL8510506 0.83 TNK2 (0.48) EGFRTNK2TTK
SCHEMBL8513510 0.83 FLT3 (0.48) TTKCDK4CCND1CCND3
SCHEMBL8513556 0.82 TNK2 (0.46) EGFRTNK2TTK
SCHEMBL8508710 0.81 WEE1 (0.50) EGFRTNK2KCNH2

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-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 EGFR 425/4885TNK2 170/4885TTK 27/4885

“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.