SCHEMBL12190881

SCHEMBL12190881

COc1cc(-c2cncc(C(=O)OC(C)(C)C)c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
FYN P06241 2/20 0.48
CHEK1 O14757 1/20 0.46
CHEK2 O96017 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
AURKB Q96GD4 2/20 0.43
NTRK1 P04629 1/20 0.43
YES1 P07947 1/20 0.43
MAPK1 P28482 1/20 0.43
XDH P47989 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TGFBR1 P36897 1/20 0.42
HTT P42858 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL5372638 0.78 KMT2A (0.64) CYP1A2MAPK1XDHSLC22A6SLC22A8
SCHEMBL12190879 0.75 FYN (0.56) CYP11B1CYP11B2FYNCHEK1CHEK2
SCHEMBL2501789 0.74 CTSA (0.48) CYP11B1CYP11B2CHEK2MAPK1MEN1
Vanillic Acid SCHEMBL6508773 0.73 HTT (0.73) CYP1A2MAPK1SLC22A6SLC22A8MEN1
SCHEMBL13433269 0.73 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL12190869 0.72 CCNC (0.55) XDHMEN1KMT2AGAAALDH1A1
SCHEMBL5366124 0.72 ATM (0.43) CYP1A2CYP3A4RAB9AGAAALDH1A1
SCHEMBL12191125 0.71 ALDH1A1 (0.51) XDHMEN1RAB9AKMT2AHTT
SCHEMBL6508777 0.71 MAPT (0.60) CYP1A2CYP3A4MAPK1SLC22A6SLC22A8
SCHEMBL3693339 0.71 MAOB (0.67) FYNCYP3A4MAPK1SLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 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-20070060619-A1 Nicotinamide-based kinase inhibitors NADK, NAMPT, PDXK CYP11B1 1033/4885CYP11B2 1227/4885FYN 291/4885

“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.