SCHEMBL12422172

SCHEMBL12422172

C[C@H]1C[C@H](N2CCOCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
OPRL1 P41146 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
ACHE P22303 1/20 0.32
DPP4 P27487 1/20 0.32
POLB P06746 1/20 0.31
MGLL Q99685 1/20 0.31
PDE4D Q08499 1/20 0.31
PRCP P42785 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL12716769 1.00 CYP2A13 (0.46) CYP2A13SMN1; SMN2ALDH1A1HPGDOPRL1
SCHEMBL8378166 1.00 CYP2A13 (0.46) CYP2A13SMN1; SMN2ALDH1A1HPGDOPRL1
SCHEMBL12716875 0.91 CYP2A13 (0.41) CYP2A13SMN1; SMN2ALDH1A1HPGDOPRL1
SCHEMBL25946262 0.91 CYP2A13 (0.41) CYP2A13SMN1; SMN2ALDH1A1HPGDOPRL1
SCHEMBL26820274 0.84 SMN1; SMN2 (0.41) CYP2A13SMN1; SMN2ALDH1A1HPGDOPRL1
SCHEMBL26820276 0.84 SMN1; SMN2 (0.41) CYP2A13SMN1; SMN2ALDH1A1HPGDOPRL1
SCHEMBL22179798 0.84 SMN1; SMN2 (0.41) CYP2A13SMN1; SMN2ALDH1A1HPGDOPRL1
SCHEMBL16907747 0.81 ALDH1A1 (0.44) CYP2A13SMN1; SMN2ALDH1A1OPRL1L3MBTL1
SCHEMBL20280968 0.81 ALDH1A1 (0.44) CYP2A13SMN1; SMN2ALDH1A1OPRL1L3MBTL1
SCHEMBL735960 0.78 SMN1; SMN2 (0.44) CYP2A13SMN1; SMN2ALDH1A1HPGDOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-8735386-B2 Aminopyrazoloquinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7648987-B2 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-01-19 US disclosed
US-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US 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 (8 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-20070149521-A1 Bicyclic protein kinase inhibitors CDK1, MAP4K2, MAP4K3 CYP2A13 1231/4885SMN1; SMN2 4138/4885ALDH1A1 4394/4885
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 CYP2A13 4725/4885SMN1; SMN2 4609/4885ALDH1A1 4685/4885
US-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CYP2A13 2969/4885SMN1; SMN2 2348/4885ALDH1A1 971/4885
US-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES CCNT1, CCNI, MKI67 CYP2A13 1244/4885SMN1; SMN2 1706/4885ALDH1A1 401/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CYP2A13 2969/4885SMN1; SMN2 2348/4885ALDH1A1 971/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CYP2A13 2969/4885SMN1; SMN2 2348/4885ALDH1A1 971/4885
US-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER MKI67, CCND1, CCNT1 CYP2A13 2061/4885SMN1; SMN2 403/4885ALDH1A1 106/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 CYP2A13 4725/4885SMN1; SMN2 4609/4885ALDH1A1 4685/4885

“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.