SCHEMBL12715134

SCHEMBL12715134

CC1CC(N2CCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTR6 P50406 1/20 0.34
LTA4H P09960 1/20 0.33
FYN P06241 1/20 0.32
CYP2D6 P10635 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MBTD1 Q05BQ5 1/20 0.31
TSHR P16473 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
SCHEMBL12716792 1.00 L3MBTL3 (0.34) L3MBTL3L3MBTL1HTR6LTA4HFYN
SCHEMBL12716798 1.00 L3MBTL3 (0.34) L3MBTL3L3MBTL1HTR6LTA4HFYN
SCHEMBL12422035 0.97 FYN (0.35) L3MBTL3L3MBTL1HTR6LTA4HFYN
SCHEMBL12422034 0.97 FYN (0.35) L3MBTL3L3MBTL1HTR6LTA4HFYN
SCHEMBL12716816 0.97 FYN (0.35) L3MBTL3L3MBTL1HTR6LTA4HFYN
SCHEMBL21363769 0.94
SCHEMBL25946269 0.94
SCHEMBL12717986 0.90 L3MBTL3 (0.43) L3MBTL3L3MBTL1CYP2D6CYP3A4CYP2C19
SCHEMBL24700391 0.85 ALDH1A1 (0.41) L3MBTL3L3MBTL1HTR6LTA4HCYP3A4
SCHEMBL22995523 0.81 ALDH1A1 (0.39) L3MBTL3L3MBTL1HTR6CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223750-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 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 (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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP L3MBTL3 1217/4885L3MBTL1 849/4885HTR6 3425/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP L3MBTL3 1217/4885L3MBTL1 849/4885HTR6 3425/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP L3MBTL3 1217/4885L3MBTL1 849/4885HTR6 3425/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 L3MBTL3 3990/4885L3MBTL1 3836/4885HTR6 4085/4885

“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.