SCHEMBL3584689

SCHEMBL3584689

O=C1NCCCc2[nH]c3c(ccc4cnc(C=Cc5ccccc5)cc43)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 19/20 0.58
MAPK9 P45984 13/20 0.52
CDC7 O00311 2/20 0.50
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
IKBKB O14920 1/20 0.44
AURKA O14965 1/20 0.44
CHUK O15111 1/20 0.44
MAPK13 O15264 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
DYRK3 O43781 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
PRKCG P05129 1/20 0.44
INSR P06213 1/20 0.44

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
SCHEMBL3584685 1.00 MAPKAPK2 (0.58) MAPKAPK2MAPK9CDC7PLK4CHEK1
SCHEMBL3580940 0.88 MAPKAPK2 (0.60) MAPKAPK2MAPK9CDC7PLK4CHEK1
SCHEMBL3580941 0.88 MAPKAPK2 (0.60) MAPKAPK2MAPK9CDC7PLK4CHEK1
SCHEMBL3574365 0.84 MAPKAPK2 (0.54) MAPKAPK2MAPK9CDC7
SCHEMBL3574369 0.84 MAPKAPK2 (0.54) MAPKAPK2MAPK9CDC7
SCHEMBL3584239 0.83 MAPKAPK2 (0.57) MAPKAPK2MAPK9CDC7KDR
SCHEMBL3584241 0.83 MAPKAPK2 (0.57) MAPKAPK2MAPK9CDC7KDR
SCHEMBL3586262 0.82 MAPKAPK2 (0.58) MAPKAPK2MAPK9CDC7AURKAJAK2
SCHEMBL3586260 0.82 MAPKAPK2 (0.58) MAPKAPK2MAPK9CDC7AURKAJAK2
SCHEMBL3581345 0.82 MAPKAPK2 (0.58) MAPKAPK2MAPK9CDC7AURKAJAK2

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-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US claimed
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 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-20100069360-A1 ORGANIC COMPOUNDS SLCO1B3, CYP3A7, SLCO1B1 MAPKAPK2 4563/4885MAPK9 2834/4885CDC7 3142/4885

“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.