SCHEMBL4132748

SCHEMBL4132748

O=C(OCc1ccccc1)N1C[C@H](O)C[C@@H](F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.45
HTR2C P28335 1/20 0.45
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLRA1 P23415 1/20 0.43
GRIN2B Q13224 1/20 0.43
HTT P42858 1/20 0.43
DPP4 P27487 2/20 0.43
KCNH2 Q12809 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43

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
SCHEMBL5787375 0.90 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1870162 0.90 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL603957 0.87 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1441152 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29068072 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23186218 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10189884 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28557719 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29067884 0.84 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL28557710 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 11 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
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
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 3818/4885NPC1 1582/4885RAB9A 3326/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 SMN1; SMN2 3818/4885NPC1 1582/4885RAB9A 3326/4885

“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.