SCHEMBL3575688

SCHEMBL3575688

O=C1NCc2[nH]c3c(ccc4cnc(C=Cc5cccc(CCN6CCOCC6)c5)cc43)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 16/20 0.59
MAPK9 P45984 13/20 0.59
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
AURKA O14965 2/20 0.36
KDR P35968 2/20 0.36
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.36
LCK P06239 1/20 0.36
MET P08581 1/20 0.36
KIT P10721 1/20 0.36
MAPK1 P28482 1/20 0.36
SYK P43405 1/20 0.36
MAPK8 P45983 1/20 0.36
GSK3B P49841 1/20 0.36
JAK3 P52333 1/20 0.36
EPHB4 P54760 1/20 0.36
PDK1 Q15118 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
KDM4A O75164 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
SCHEMBL3575684 1.00 MAPKAPK2 (0.59) MAPKAPK2MAPK9ABL1BCRAURKA
SCHEMBL3996048 0.95 MAPKAPK2 (0.54) MAPKAPK2MAPK9AURKAKDRMAPT
SCHEMBL3996044 0.95 MAPKAPK2 (0.54) MAPKAPK2MAPK9AURKAKDRMAPT
SCHEMBL3570153 0.92 MAPKAPK2 (0.60) MAPKAPK2MAPK9ABL1BCR
SCHEMBL3570156 0.92 MAPKAPK2 (0.60) MAPKAPK2MAPK9ABL1BCR
SCHEMBL3574525 0.92 MAPKAPK2 (0.56) MAPKAPK2MAPK9AURKAKDRJAK2
SCHEMBL3574528 0.92 MAPKAPK2 (0.56) MAPKAPK2MAPK9AURKAKDRJAK2
SCHEMBL3581018 0.91 MAPKAPK2 (0.60) MAPKAPK2MAPK9ABL1BCR
SCHEMBL3581017 0.91 MAPKAPK2 (0.60) MAPKAPK2MAPK9ABL1BCR
SCHEMBL3994321 0.88 MAPKAPK2 (0.55) MAPKAPK2MAPK9AURKAKDRJAK2

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 2834/4885ABL1 1064/4885

“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.