SCHEMBL12716623

SCHEMBL12716623

CCCN1C[C@@H]2C[C@H]1CO2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GAA P10253 1/20 0.34
TLR7 Q9NYK1 1/20 0.32
PDE10A Q9Y233 2/20 0.32
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
KIF11 P52732 2/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL8369391 1.00 ESR1 (0.34) ESR1ESR2GAATLR7PDE10A
SCHEMBL12717919 1.00 ESR1 (0.34) ESR1ESR2GAATLR7PDE10A
SCHEMBL23158337 0.89 GBA2 (0.38) GAATLR7KIF11
SCHEMBL16511216 0.89 GBA2 (0.38) GAATLR7KIF11
SCHEMBL25914962 0.85 GBA2 (0.41) GAA
SCHEMBL20340914 0.83
SCHEMBL13543563 0.83
SCHEMBL12059266 0.83
SCHEMBL22661910 0.81 WNT1 (0.33) ESR1ESR2PDE10AWNT1GSK3B
SCHEMBL25702634 0.81 WNT1 (0.33) ESR1ESR2PDE10AWNT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO 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 (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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS ESR1 990/4885ESR2 2216/4885GAA 1310/4885
US-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ESR1 3789/4885ESR2 3391/4885GAA 1549/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ESR1 3789/4885ESR2 3391/4885GAA 1549/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ESR1 3789/4885ESR2 3391/4885GAA 1549/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ESR1 1125/4885ESR2 2407/4885GAA 1367/4885

“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.