SCHEMBL102073

SCHEMBL102073

CC(C)CC1CCNC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
MMP1 P03956 2/20 0.33
MMP9 P14780 2/20 0.33
ADAM17 P78536 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CTSD P07339 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NR2F2 P24468 2/20 0.33
RAB9A P51151 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
SLC2A1 P11166 1/20 0.33

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
SCHEMBL268203 0.80 TSHR (0.37) IRAK4CTSDSMN1; SMN2LMNANPC1
SCHEMBL21587611 0.80 TSHR (0.37) IRAK4CTSDSMN1; SMN2LMNANPC1
SCHEMBL522950 0.80 TSHR (0.37) IRAK4CTSDSMN1; SMN2LMNANPC1
SCHEMBL13575606 0.78
SCHEMBL5451213 0.78
SCHEMBL21290626 0.78 PDCD1 (0.39) IRAK4PDCD1CD274CTSDOPRL1
SCHEMBL23278033 0.77 IRAK4 (0.42) IRAK4PDCD1CD274
SCHEMBL20666535 0.77 IRAK4 (0.33) IRAK4
SCHEMBL12209139 0.77 PDCD1 (0.35) IRAK4PDCD1CD274CTSDOPRL1
SCHEMBL23278030 0.77 IRAK4 (0.42) IRAK4PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3843850-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC (US) 2023-11-15 EP disclosed
EP-3430017-B1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES UNIV CALIFORNIA (US) 2023-01-25 EP disclosed
CN-109715617-B Dimethoxyphenyl-substituted indole compounds as inhibitors of TLR7, TLR8 or TLR9 百时美施贵宝公司 2022-04-19 CN disclosed
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US disclosed
EP-3490983-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS Bristol-Myers Squibb Company (US) 2019-06-05 EP disclosed
WO-2018026620-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-08 WO disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 IRAK4 220/4885MMP1 2610/4885MMP9 2003/4885
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 IRAK4 124/4885MMP1 3735/4885MMP9 4473/4885
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 IRAK4 15/4885MMP1 2429/4885MMP9 779/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 IRAK4 67/4885MMP1 3153/4885MMP9 3493/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 IRAK4 15/4885MMP1 2458/4885MMP9 788/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 IRAK4 26/4885MMP1 2061/4885MMP9 3879/4885

“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.