SCHEMBL9609439

SCHEMBL9609439

CN(C)CCCOc1cccc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2nccs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.43
LCK P06239 2/20 0.43
KDR P35968 2/20 0.43
FGFR1 P11362 3/20 0.41
EGFR P00533 4/20 0.39
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
PLK1 P53350 1/20 0.38
USP2 O75604 6/20 0.37
CYP1A2 P05177 6/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 5/20 0.37
CYP3A4 P08684 5/20 0.37
CLK4 Q9HAZ1 4/20 0.37
HBB P68871 3/20 0.37
TP53 P04637 2/20 0.37
TNK2 Q07912 1/20 0.35

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
SCHEMBL213088 0.92 SRC (0.49) SRCLCKKDRFGFR1EGFR
SCHEMBL8511920 0.89 SRC (0.42) SRCLCKKDRFGFR1EGFR
SCHEMBL8511945 0.88 SRC (0.48) SRCLCKKDRFGFR1EGFR
SCHEMBL8510431 0.88 EGFR (0.39) SRCLCKKDRFGFR1EGFR
SCHEMBL8514403 0.88 LCK (0.41) SRCLCKKDRFGFR1EGFR
SCHEMBL9609438 0.83 SRC (0.41) SRCLCKKDRFGFR1EGFR
SCHEMBL8509293 0.82 WEE1 (0.40) SRCLCKKDREGFRGSK3B
SCHEMBL8510013 0.81 WEE1 (0.38) SRCLCKKDRFGFR1EGFR
SCHEMBL8513087 0.81 JAK2 (0.40) SRCLCKKDREGFRLMNA
SCHEMBL188629 0.81 WEE1 (0.40) EGFRALDH1A1LMNASYK

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 SRC 546/4885LCK 540/4885KDR 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.