SCHEMBL8378166

SCHEMBL8378166

CC1CC(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
SCHEMBL12422172 1.00 CYP2A13 (0.46) CYP2A13SMN1; SMN2ALDH1A1HPGDOPRL1
SCHEMBL12716769 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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
EP-4223750-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
EP-3153023-B1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE TAKEDA PHARMACEUTICALS CO (JP) 2022-03-16 EP disclosed
WO-2021252692-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2021-12-16 WO disclosed
EP-2976086-B1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2020-10-14 EP disclosed
EP-2595987-B1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed
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-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 US disclosed
US-9724354-B2 Combination of catalytic mTORC1/2 inhibitors and selective inhibitors of Aurora A kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-8450329-B2 2013-05-28 US disclosed
US-8450480-B2 2013-05-28 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 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-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 US disclosed
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-22 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

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-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-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 CYP2A13 2459/4885SMN1; SMN2 4736/4885ALDH1A1 4042/4885
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-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND IRAK4, IRAK1, IRAK2 CYP2A13 4558/4885SMN1; SMN2 1514/4885ALDH1A1 2898/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 CYP2A13 2459/4885SMN1; SMN2 4736/4885ALDH1A1 4042/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 CYP2A13 4484/4885SMN1; SMN2 1323/4885ALDH1A1 4563/4885

“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.