SCHEMBL8514403

SCHEMBL8514403

COc1cc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2nccs2)ccc1OCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.41
SRC P12931 4/20 0.41
KDR P35968 4/20 0.41
EGFR P00533 3/20 0.39
PTK2 Q05397 3/20 0.38
FGFR1 P11362 1/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 2/20 0.36
CCND3 P30281 2/20 0.36
CCND2 P30279 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
WEE1 P30291 1/20 0.35
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL8510431 0.97 EGFR (0.39) LCKSRCKDREGFRPTK2
SCHEMBL8511920 0.92 SRC (0.42) LCKSRCKDREGFRPTK2
SCHEMBL213088 0.89 SRC (0.49) LCKSRCKDREGFRPTK2
SCHEMBL9609439 0.88 SRC (0.43) LCKSRCKDREGFRFGFR1
SCHEMBL8511945 0.85 SRC (0.48) LCKSRCKDREGFRPTK2
SCHEMBL8509293 0.82 WEE1 (0.40) LCKSRCKDREGFRLIPG
SCHEMBL8510013 0.81 WEE1 (0.38) LCKSRCKDREGFRFGFR1
SCHEMBL188629 0.80 WEE1 (0.40) EGFRWEE1JAK2FLT3
SCHEMBL9609438 0.80 SRC (0.41) LCKSRCKDREGFRPTK2
SCHEMBL8514337 0.80 WEE1 (0.38) EGFRPTK2WEE1JAK2

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.