SCHEMBL14218704

SCHEMBL14218704

CCN1CCCCCCCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 1/20 0.52
HRH3 Q9Y5N1 2/20 0.45
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL19750123 1.00 KMT2A (0.52) KMT2ACYP2D6HRH3HSD11B1MEN1
SCHEMBL11435054 1.00 KMT2A (0.52) KMT2ACYP2D6HRH3HSD11B1MEN1
SCHEMBL327725 1.00 KMT2A (0.52) KMT2ACYP2D6HRH3HSD11B1MEN1
SCHEMBL61193 1.00
SCHEMBL2107485 1.00
SCHEMBL24793465 1.00 KMT2A (0.52) KMT2ACYP2D6HRH3HSD11B1MEN1
SCHEMBL6506975 1.00
SCHEMBL944 1.00
SCHEMBL5990231 1.00 KMT2A (0.52) KMT2ACYP2D6HRH3HSD11B1MEN1
SCHEMBL12402455 1.00 KMT2A (0.52) KMT2ACYP2D6HRH3HSD11B1MEN1

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
US-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-07-03 US disclosed
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-03-15 US disclosed
US-20170342036-A1 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-30 US disclosed
US-9670165-B2 SIK inhibitor for use in a method of treating an inflammatory and/or immune disorder DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-06 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 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-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents HBS1L, DBNL, BOD1L1 KMT2A 3286/4885CYP2D6 2886/4885HRH3 1076/4885
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS ABCB11, ABCB7, BRI3BP KMT2A 3104/4885CYP2D6 2081/4885HRH3 1076/4885
US-20170342036-A1 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER SIK1, SIK2, SGK1 KMT2A 2607/4885CYP2D6 4876/4885HRH3 1246/4885

“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.