SCHEMBL8510187

SCHEMBL8510187

COc1ccc2c(c1)n(-c1ccccn1)n1c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3nc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 5/20 0.53
▸ SRC P12931 5/20 0.53
▸ KDR P35968 3/20 0.53
▸ WEE1 P30291 7/20 0.53
▸ PLK1 P53350 3/20 0.53
▸ BRD4 O60885 3/20 0.48
▸ AURKA O14965 1/20 0.48
▸ CDK4 P11802 1/20 0.48
▸ FGFR4 P22455 2/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ ALK Q9UM73 1/20 0.45

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
SCHEMBL9609444 0.93 WEE1 (0.52) LCKSRCKDRWEE1PLK1
SCHEMBL9609451 0.92 WEE1 (0.51) LCKSRCKDRWEE1PLK1
SCHEMBL9610722 0.91 WEE1 (0.49) LCKSRCKDRWEE1PLK1
SCHEMBL9610753 0.91 WEE1 (0.55) LCKSRCKDRWEE1PLK1
SCHEMBL8509592 0.90 WEE1 (0.55) WEE1PLK1FLT3
SCHEMBL9609446 0.90 WEE1 (0.52) LCKSRCKDRWEE1PLK1
SCHEMBL8510413 0.90 WEE1 (0.51) LCKSRCKDRWEE1PLK1
SCHEMBL9609445 0.90 WEE1 (0.49) LCKSRCKDRWEE1PLK1
SCHEMBL8514394 0.90 WEE1 (0.51) LCKSRCKDRWEE1PLK1
SCHEMBL9609452 0.90 WEE1 (0.54) LCKSRCKDRWEE1PLK1

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 LCK 540/4885SRC 546/4885KDR 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.

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