SCHEMBL21796563

SCHEMBL21796563

COc1ccc(Cn2cc(C=O)c(N)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
DUSP3 P51452 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
AADAT Q8N5Z0 1/20 0.45
KMT2A Q03164 3/20 0.44
CMA1 P23946 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
NLRP3 Q96P20 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL26106761 0.84 RAB9A (0.50) RAB9ASMN1; SMN2DUSP3L3MBTL1NPC1
SCHEMBL21796845 0.82 GAA (0.52) RAB9ASMN1; SMN2NPC1AADATKMT2A
SCHEMBL21796844 0.82 GAA (0.52) RAB9ASMN1; SMN2NPC1AADATKMT2A
SCHEMBL22873637 0.81 HDAC1 (0.45) SMN1; SMN2L3MBTL1AADATKMT2AALDH1A1
SCHEMBL18399219 0.81 HDAC1 (0.45) SMN1; SMN2L3MBTL1AADATKMT2AALDH1A1
SCHEMBL7258447 0.81 MEN1 (0.47) RAB9ANPC1MAPTAADATKMT2A
SCHEMBL3696651 0.80 GAA (0.46) RAB9ASMN1; SMN2DUSP3L3MBTL1NPC1
SCHEMBL31052484 0.80 AADAT (0.49) RAB9ANPC1MAPTAADATKMT2A
SCHEMBL21518857 0.79 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2DUSP3L3MBTL1NPC1
SCHEMBL8887376 0.79 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2DUSP3L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025228900-A1 ARYLAMIDE SUBSTITUTED INDAZOLES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-06 WO disclosed
WO-2025228899-A1 FURTHER HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-06 WO disclosed
US-20250333414-A1 HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2025-10-30 US disclosed
EP-4608830-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2025-09-03 EP disclosed
WO-2024089155-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-02 WO disclosed
WO-2024089155-A1 HETEROCYCLIC COMPOUNDS AS STING ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-02 WO disclosed
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 CN disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 EP disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 EP disclosed
US-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 RAB9A 187/4885SMN1; SMN2 589/4885DUSP3 577/4885
US-20250333414-A1 HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT STING1, MAVS, TBK1 RAB9A 2291/4885SMN1; SMN2 4173/4885DUSP3 3562/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 RAB9A 250/4885SMN1; SMN2 11/4885DUSP3 1873/4885

“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.