SCHEMBL3582001

SCHEMBL3582001

COc1cc(Nc2ncc3cnn(-c4cccc5ccccc45)c3n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.43
FLT3 P36888 1/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
CCND2 P30279 2/20 0.43
CCND3 P30281 2/20 0.43
WEE1 P30291 1/20 0.42
KCNH2 Q12809 1/20 0.40
AURKA O14965 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
JAK2 O60674 2/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
JUN P05412 2/20 0.39
MAPK10 P53779 2/20 0.39

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
SCHEMBL3581836 0.91 CDK4 (0.49) PTK2FLT3CDK4CCND1CCND2
SCHEMBL3582215 0.86 CDK4 (0.46) PTK2CDK4CCND1CCND2CCND3
SCHEMBL3577978 0.80 CDK4 (0.45) PTK2CDK4CCND1CCND2CCND3
SCHEMBL3583178 0.78 SRC (0.42) FLT3CDK4CCND1CCND2CCND3
SCHEMBL3588854 0.78 PDGFRB (0.47) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL3581123 0.76 CDK4 (0.44) PTK2FLT3CDK4CCND1CCND2
SCHEMBL3589735 0.75 GSK3B (0.53) AURKAJAK2
SCHEMBL3573049 0.74 CDK1 (0.46) CDK4CCND1CCND2CCND3WEE1
SCHEMBL3571516 0.74 EGFR (0.56) CDK4CCND1CCND2CCND3WEE1
SCHEMBL3591261 0.73 GSK3A (0.39) PTK2CDK4CCND1CCND2CCND3

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 PTK2 206/4885FLT3 718/4885CDK4 102/4885

“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.