SCHEMBL9904321

SCHEMBL9904321

Fc1cccc(F)c1-c1ccc2[nH]nc(I)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.46
PIM3 Q86V86 11/20 0.46
PIM2 Q9P1W9 11/20 0.46
TRPA1 O75762 1/20 0.42
JAK2 O60674 3/20 0.41
DYRK1A Q13627 3/20 0.41
PLK4 O00444 1/20 0.39
MAPK13 O15264 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MARK3 P27448 1/20 0.39
FLT4 P35916 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 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
SCHEMBL9904218 0.81 PIM1 (0.46) PIM1PIM3PIM2TRPA1JAK2
SCHEMBL5514710 0.79 MKNK1 (0.63) PIM1PIM3PIM2JAK2DYRK1A
SCHEMBL1553551 0.75 ITK (0.46) GSK3B
SCHEMBL9904260 0.75 PIM1 (0.47) PIM1PIM3PIM2TRPA1ALOX5AP
SCHEMBL31013562 0.72 MAP4K1 (0.43) PIM1PIM3PIM2GSK3BALOX5AP
SCHEMBL29233792 0.72 MAP4K1 (0.43) PIM1PIM3PIM2GSK3BALOX5AP
SCHEMBL17581450 0.72 JAK2 (0.73) JAK2DYRK1AGSK3BCLK4
SCHEMBL5510618 0.71 NOS1 (0.44) JAK2DYRK1APRKD3MAP4K4CDK2
SCHEMBL26396737 0.71 PIM1 (0.45) PIM1PIM3PIM2JAK2DYRK1A
SCHEMBL31013579 0.69 MAP4K1 (0.64)

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 PIM1 1/4885PIM3 3/4885PIM2 2/4885

“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.