SCHEMBL1710360

SCHEMBL1710360

CC(C)(C)OC(=O)NC1CC(C(=O)O)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE4B Q07343 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HSD11B1 P28845 1/20 0.46
HTT P42858 1/20 0.45
BTK Q06187 1/20 0.44
CTSL P07711 2/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM4 P08173 1/20 0.44
TSHR P16473 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
RORC P51449 1/20 0.42
SYK P43405 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL27839965 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL1710343 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL14428325 0.93 KMT2A (0.55) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL13456796 0.93 KMT2A (0.55) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL1722459 0.92 PDE4B (0.51) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL2218999 0.92 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL2821598 0.91 PDE4B (0.54) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL11912157 0.89 KMT2A (0.51) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL20497954 0.89 KMT2A (0.51) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL2377336 0.89 KMT2A (0.51) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
EP-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 WO disclosed
CN-102197032-B Heterocyclic PIM-kinase inhibitors NOVARTIS AG 2014-07-23 CN disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
CN-102197032-A Heterocyclic PIM-kinase inhibitors NOVARTIS AG 2011-09-21 CN disclosed
US-20110195956-A1 Heterocyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
EP-2344473-A1 HETEROCYCLIC PIM-KINASE INHIBITORS Novartis AG (CH) 2011-07-20 EP 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
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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 (5 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 SMN1; SMN2 3608/4885NPC1 4175/4885RAB9A 3323/4885
US-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 SMN1; SMN2 3818/4885NPC1 1582/4885RAB9A 3326/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 SMN1; SMN2 2557/4885NPC1 4325/4885RAB9A 4183/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 SMN1; SMN2 3322/4885NPC1 3507/4885RAB9A 3065/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 SMN1; SMN2 1336/4885NPC1 4665/4885RAB9A 3215/4885

“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.