SCHEMBL9904282

SCHEMBL9904282

COc1cncc(-c2ccc3[nH]nc(-c4cncc(OC)c4)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 2/20 0.62
CLK3 P49761 2/20 0.62
DYRK1A Q13627 2/20 0.62
CDK7 P50613 1/20 0.58
CYP11B1 P15538 4/20 0.54
CYP11B2 P19099 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
PRMT5 O14744 2/20 0.53
WDR77 Q9BQA1 2/20 0.53
NTRK1 P04629 1/20 0.51
LRRK2 Q5S007 1/20 0.49
PRKAG1 P54619 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
MKNK1 Q9BUB5 2/20 0.48
GSK3B P49841 2/20 0.47
TTK P33981 1/20 0.46
AKT1 P31749 1/20 0.46

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
SCHEMBL18447281 0.84 CLK2 (0.65) CLK2CLK3DYRK1ACDK7
SCHEMBL18448285 0.84 CLK3 (0.67) CLK2CLK3DYRK1ACDK7
SCHEMBL20454878 0.84 CLK3 (0.69) CLK2CLK3DYRK1A
SCHEMBL18446779 0.82 CLK3 (0.64) CLK2CLK3DYRK1ACDK7TTK
SCHEMBL18444538 0.81 CLK2 (0.79) CLK2CLK3DYRK1A
SCHEMBL18441732 0.81 CLK2 (0.73) CLK2CLK3DYRK1ACDK7
SCHEMBL17594415 0.81 WNT1 (0.54) CLK2CLK3DYRK1ACDK7
SCHEMBL18447946 0.80 CLK3 (0.61) CLK2CLK3DYRK1A
SCHEMBL18444526 0.80 CLK2 (0.77) CLK2CLK3DYRK1A
SCHEMBL20454822 0.80 CLK3 (0.77) CLK2CLK3DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 CLK2 707/4885CLK3 1011/4885DYRK1A 745/4885

“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.