SCHEMBL2693065

SCHEMBL2693065

COc1ccc(CN2C[C@H](F)C[C@@H](O[Si](C)(C)C(C)(C)C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
DRD4 P21917 6/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
THRB P10828 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
PTGIR P43119 1/20 0.37
HRH2 P25021 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL31309251 0.87 FUCA1 (0.38) SIGMAR1THRBDRD2DRD3
SCHEMBL6802012 0.86 SMN1; SMN2 (0.42) SMN1; SMN2SIGMAR1DRD4KCNH2MCHR1
SCHEMBL14428316 0.86 SMN1; SMN2 (0.42) SMN1; SMN2SIGMAR1DRD4KCNH2MCHR1
SCHEMBL5387740 0.86 SMN1; SMN2 (0.42) SMN1; SMN2SIGMAR1DRD4KCNH2MCHR1
SCHEMBL14502956 0.78 SIGMAR1 (0.41) SMN1; SMN2SIGMAR1THRBHRH2
SCHEMBL14428323 0.78 SIGMAR1 (0.41) SMN1; SMN2SIGMAR1THRBHRH2
SCHEMBL5401346 0.76 SIGMAR1 (0.47) SIGMAR1THRB
SCHEMBL6797659 0.76 SIGMAR1 (0.47) SIGMAR1THRB
SCHEMBL2912574 0.76 SMN1; SMN2 (0.54) SMN1; SMN2SIGMAR1DRD4KCNH2MCHR1
SCHEMBL19875817 0.75 SIGMAR1 (0.48) SMN1; SMN2SIGMAR1DRD4PTGIRHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
EP-2262802-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-10-23 EP disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 US disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US disclosed
EP-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 EP disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 US disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 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-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 SMN1; SMN2 3818/4885SIGMAR1 1809/4885DRD4 4634/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 SMN1; SMN2 3818/4885SIGMAR1 1809/4885DRD4 4634/4885

“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.