SCHEMBL12717845

SCHEMBL12717845

CCC1(N2CCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL26499242 0.95 MEN1 (0.33) SLC6A9MEN1KMT2A
SCHEMBL24357949 0.95 MEN1 (0.37) SLC6A9MEN1KMT2A
SCHEMBL10129209 0.92 MEN1 (0.39) SLC6A9MEN1KMT2A
SCHEMBL10865041 0.92 SLC6A9 (0.38) SLC6A9MEN1KMT2A
SCHEMBL13197466 0.92 MEN1 (0.39) SLC6A9MEN1KMT2A
SCHEMBL28151536 0.92 MEN1 (0.39) SLC6A9MEN1KMT2A
SCHEMBL18180585 0.92 SLC6A9 (0.37) SLC6A9MEN1KMT2A
SCHEMBL25558801 0.89
SCHEMBL25165171 0.89
SCHEMBL22969947 0.81 OPRM1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021023247-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 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 (3 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 SLC6A9 4312/4885MEN1 4552/4885KMT2A 2893/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SLC6A9 4312/4885MEN1 4552/4885KMT2A 2893/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SLC6A9 4312/4885MEN1 4552/4885KMT2A 2893/4885

“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.