SCHEMBL5117776

SCHEMBL5117776

COc1cc2ccccc2nc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.65
SMN1; SMN2 Q16637 7/20 0.60
HTT P42858 4/20 0.60
STAT3 P40763 3/20 0.60
MAPT P10636 5/20 0.57
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.54
NQO2 P16083 3/20 0.53
RAB9A P51151 2/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
NPC1 O15118 1/20 0.51
GLA P06280 1/20 0.48
ACHE P22303 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL9590284 0.82 TLR8 (0.67) TLR8SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL180365 0.80 TLR8 (0.65) TLR8SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL18023079 0.79 HTT (0.69) TLR8SMN1; SMN2HTTSTAT3MAPT
SCHEMBL29207072 0.79 HTT (0.59) TLR8SMN1; SMN2HTTSTAT3MAPT
SCHEMBL12969936 0.78 TLR8 (0.62) TLR8SMN1; SMN2HTTMAPTKDM4E
SCHEMBL28284738 0.78 TLR8 (0.62) TLR8SMN1; SMN2HTTSTAT3MAPT
SCHEMBL7045347 0.78 TLR8 (1.00) TLR8SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9589202 0.78 TLR8 (0.62) TLR8SMN1; SMN2MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL27511729 0.78 TLR8 (0.62) TLR8SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL18023055 0.78 TLR8 (0.62) TLR8SMN1; SMN2HTTSTAT3MAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
CN-114507180-B Methyl-substituted azaheterocyclic compound C (sp 3 ) Method for self dehydroalkenylation of H bonds 常州大学 2023-08-22 CN disclosed
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2022-02-24 US disclosed
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2022-02-24 US disclosed
EP-3902796-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER Nexys Therapeutics, Inc. (US) 2021-11-03 EP disclosed
CN-113348167-A (pyridin-2-yl) amine derivatives as TGF-beta R1(ALK5) inhibitors for the treatment of cancer 奈可萨斯医药有限公司 2021-09-03 CN disclosed
WO-2020139636-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2020-07-02 WO disclosed
WO-2020139636-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2020-07-02 WO disclosed
EP-1400519-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-03-07 EP disclosed
US-7071192-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-07-04 US disclosed
US-20060058309-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-16 US disclosed
EP-1400519-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-24 EP disclosed
EP-1196410-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 EP disclosed
CN-1358182-A Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2002-07-10 CN disclosed
EP-1196410-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-17 EP disclosed
WO-2001000615-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 WO disclosed
US-4166862-A WEIGHT-GAIN PROMOTERS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-09-04 US disclosed
US-4163746-A ANABOLIC, 5-METHYL-7-ALKOXYISOFLAVONES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-08-07 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-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 TLR8 1795/4885SMN1; SMN2 3144/4885HTT 4845/4885
US-20060058309-A1 Respiratory syncytial virus replication inhibitors NR4A1, NR4A3, NR4A2 TLR8 1192/4885SMN1; SMN2 1398/4885HTT 4194/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 TLR8 2446/4885SMN1; SMN2 2960/4885HTT 4668/4885
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER TGFBR1, TGFBR2, ACVR1 TLR8 1795/4885SMN1; SMN2 3144/4885HTT 4845/4885

“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.