SCHEMBL9901502

SCHEMBL9901502

CC(C)(C)NC(=O)c1c[c]c(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
APEX1 P27695 1/20 0.39
AOC3 Q16853 2/20 0.39
MAOB P27338 1/20 0.39
IMPDH2 P12268 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL12615099 0.80 HDAC8 (0.48) HTT
SCHEMBL17865779 0.77 LMNA (0.58) LMNAHTTPOLBMAPTAOC3
SCHEMBL9901941 0.76 MLYCD (0.51) LMNAMAPTNPC1
SCHEMBL9900587 0.76 CA12 (0.41) LMNAMAPT
SCHEMBL6417124 0.76 LMNA (0.50) LMNAHTTAOC3MAOBNPC1
SCHEMBL19625786 0.76 LMNA (0.50) LMNAHTTAOC3MAOBNPC1
SCHEMBL1206454 0.74 KMT2A (0.45) LMNAMAPTMAOBNPC1RAB9A
SCHEMBL9900386 0.73 ALDH1A1 (0.49) HTTPOLB
SCHEMBL27995848 0.73 CA1 (0.48) HTTPOLBMAPTNPC1RAB9A
SCHEMBL6416168 0.71 CHRNA1 (0.57) POLBMAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US claimed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP 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-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 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 (2 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 LMNA 2103/4885HTT 2716/4885POLB 2438/4885
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors PIM1, PIM2, PIM3 LMNA 1512/4885HTT 3207/4885POLB 2012/4885

“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.