SCHEMBL3590227

SCHEMBL3590227

c1ccc2c(-n3ncc4cnc(Nc5ccc(-n6cncn6)cc5)nc43)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.49
SYK P43405 3/20 0.42
EIF2AK4 Q9P2K8 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
ACVR1 Q04771 1/20 0.36
JUN P05412 5/20 0.36
MAPK8 P45983 3/20 0.36
PDGFRA P16234 1/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 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
SCHEMBL3583178 0.82 SRC (0.42) SYKEIF2AK4PDGFRAGSK3AGSK3B
SCHEMBL3585927 0.80 STAT6 (0.53) SYKPDGFRACDK4CCND1CCND2
SCHEMBL3571516 0.79 EGFR (0.56) PDGFRACDK4CCND1CCND2CCND3
SCHEMBL3588808 0.79 CDK4 (0.54) CDK4CCND1CCND2CCND3STAT6
SCHEMBL3589735 0.78 GSK3B (0.53) GSK3AGSK3B
SCHEMBL3588854 0.78 PDGFRB (0.47) SYKEIF2AK4PDGFRACDK4CCND1
SCHEMBL1355980 0.78 EIF2AK4 (0.61) MAPK10SYKEIF2AK4TBK1MAPK8
SCHEMBL3573049 0.75 CDK1 (0.46) EIF2AK4ACVR1CDK4CCND1CCND2
SCHEMBL3581836 0.75 CDK4 (0.49) MAPK8GSK3BCDK4CCND1CCND2
SCHEMBL3583207 0.74 ROCK1 (0.38) MAPK10EIF2AK4GSK3AGSK3BCDK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B MAPK10 165/4885SYK 1222/4885EIF2AK4 998/4885

“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.