SCHEMBL8510826

SCHEMBL8510826

CCn1c2ccccc2c2nc3nc(Nc4ccc(N5CCN(C)CC5)c(C)c4)ncc3c(=O)n21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 11/20 0.49
▸ TTK P33981 1/20 0.48
▸ WEE1 P30291 2/20 0.47
▸ EGFR P00533 3/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ FLT3 P36888 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ MAPK14 Q16539 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
SCHEMBL8510005 0.94 TNK2 (0.48) TNK2TTKWEE1EGFRSLC2A1
SCHEMBL216531 0.93 TNK2 (0.48) TNK2TTKWEE1EGFRSLC2A1
SCHEMBL214827 0.92 TNK2 (0.47) TNK2TTKWEE1EGFRSLC2A1
SCHEMBL8510333 0.92 TNK2 (0.49) TNK2TTKWEE1EGFRSLC2A1
SCHEMBL8510306 0.91 WEE1 (0.57) TNK2WEE1EGFRSLC2A1
SCHEMBL8510401 0.90 TNK2 (0.51) TNK2TTKWEE1EGFRSLC2A1
SCHEMBL218103 0.88 TNK2 (0.46) TNK2TTKWEE1SLC2A1LCK
SCHEMBL9609441 0.87 TTK (0.52) TNK2TTKEGFR
SCHEMBL8514280 0.87 EGFR (0.49) TNK2TTKWEE1EGFRSLC2A1
SCHEMBL187898 0.87 TNK2 (0.48) TNK2TTKWEE1EGFRSLC2A1

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 TNK2 170/4885TTK 27/4885WEE1 1/4885

“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.

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