SCHEMBL1355893

SCHEMBL1355893

CO[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
CYP2C19 P33261 1/20 0.47
CTSK P43235 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 1/20 0.43
YAP1 P46937 1/20 0.43
GRIN2B Q13224 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
STS P08842 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PARP1 P09874 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
SCHEMBL3388401 1.00 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13315211 1.00 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3388396 1.00 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL19918950 1.00 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL376172 0.92 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28542087 0.92 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL30661643 0.92 HSD11B1 (0.48) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL2852833 0.92 HSD11B1 (0.48) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL20121078 0.92 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL2852829 0.92 HSD11B1 (0.48) PDE4BSMN1; SMN2NPC1RAB9AHTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367800-B9 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER IPHARMA H K LTD (HK) 2021-10-20 EP disclosed
EP-2367800-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed
US-9676762-B2 Pyrimidine compounds containing seven-membered fused ring systems BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-9676762-B2 Pyrimidine compounds containing seven-membered fused ring systems BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20160362404-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-15 US disclosed
US-20160362404-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-15 US disclosed
US-20150376141-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2015-12-31 US disclosed
US-20150376141-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2015-12-31 US disclosed
US-20150376141-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2015-12-31 US disclosed
US-20140371205-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-18 US disclosed
US-8846689-B2 Substituted pyrimidines for the treatment of diseases such as cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-8846689-B2 Substituted pyrimidines for the treatment of diseases such as cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-20110288071-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
US-20110288071-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
US-20110288071-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
EP-2367800-A2 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2011-09-28 EP disclosed
WO-2010058032-A2 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 WO disclosed
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO 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 (4 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-20140371205-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER TYMP, HPRT1, TYMS PDE4B 2672/4885SMN1; SMN2 504/4885NPC1 1446/4885
US-20160362404-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 PDE4B 2272/4885SMN1; SMN2 612/4885NPC1 84/4885
US-20150376141-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 PDE4B 2551/4885SMN1; SMN2 381/4885NPC1 62/4885
US-20110288071-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER TYMP, HPRT1, TYMS PDE4B 2672/4885SMN1; SMN2 504/4885NPC1 1446/4885

“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.