SCHEMBL102116

SCHEMBL102116

CC(C)CC1CCN(C(=O)CN2CCOCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
KDM4E B2RXH2 5/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 7/20 0.46
NPC1 O15118 2/20 0.42
NAMPT P43490 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL8252220 0.84 PKM (0.41) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL8051887 0.83 ALOX15 (0.54) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL8429458 0.83 HSD17B10 (0.66) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL2606058 0.83 HSD17B10 (0.70) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL25075446 0.82 PKM (0.40) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL8246298 0.82 GAA (0.39) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL2603227 0.82 HSD17B10 (0.64) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL8255177 0.81 POLB (0.49) KMT2ASMN1; SMN2
SCHEMBL14393742 0.81 HSD17B10 (0.62) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL25075211 0.79 GAA (0.42) HSD17B10ALOX15TSHRKDM4ELMNA

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
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
US-9416132-B2 Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 HSD17B10 4503/4885ALOX15 4730/4885TSHR 1474/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 HSD17B10 3525/4885ALOX15 3536/4885TSHR 3476/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 HSD17B10 4466/4885ALOX15 4678/4885TSHR 1193/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 HSD17B10 4685/4885ALOX15 4424/4885TSHR 956/4885

“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.