SCHEMBL21753597

SCHEMBL21753597

CCn1nc(C)c(Cl)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
POLB P06746 4/20 0.38
GLS O94925 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL28491930 0.85 KDM4E (0.45) KDM4EKMT2AALDH1A1MAPTADORA2A
SCHEMBL17917631 0.85 ALDH1A1 (0.48) KDM4ENPC1KMT2AMEN1ALDH1A1
SCHEMBL22582787 0.81 KMT2A (0.53) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL102723 0.81 KMT2A (0.46) KDM4ENPC1KMT2AALDH1A1MAPT
SCHEMBL10049616 0.80 ADORA2A (0.38) KDM4ENPC1KMT2AMEN1ALDH1A1
SCHEMBL13184405 0.79 KDM4E (0.47) KDM4ENPC1KMT2AMEN1ALDH1A1
SCHEMBL21753564 0.78 NPC1 (0.44) KDM4ENPC1KMT2AMEN1ALDH1A1
SCHEMBL20874552 0.78 GAA (0.51) KDM4ENPC1KMT2AMEN1ALDH1A1
SCHEMBL1326752 0.78 KDM4E (0.51) KDM4ENPC1ALDH1A1MAPTADORA2A
SCHEMBL26924428 0.78 NPC1 (0.44) KDM4ENPC1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287093-A1 HIGH ACTIVITY STING PROTEIN AGONIST ADLAI NORTYE BIOPHARMA CO., LTD. (CN) 2024-08-29 US disclosed
CN-111655682-B High-activity STING protein agonist compound 杭州阿诺生物医药科技有限公司 2024-05-31 CN disclosed
EP-3842437-B1 HIGH ACTIVITY STING PROTEIN AGONIST ADLAI NORTYE BIOPHARMA CO LTD (CN) 2024-04-10 EP disclosed
CN-113354677-B Acrylonitrile compound and preparation method and application thereof 华中师范大学 2023-08-01 CN disclosed
CN-111386275-B High activity STING protein agonists 杭州阿诺生物医药科技有限公司 2023-03-10 CN disclosed
CN-112552314-B Small-molecule anti-tumor compound of STING agonist and application thereof 杭州阿诺生物医药科技有限公司 2022-03-04 CN disclosed
CN-113354677-A Acrylonitrile compound and preparation method and application thereof 华中师范大学 2021-09-07 CN disclosed
EP-3842437-A1 HIGH ACTIVITY STING PROTEIN AGONIST Adlai Nortye Biopharma Co., Ltd. (CN) 2021-06-30 EP disclosed
EP-3842437-A1 HIGH ACTIVITY STING PROTEIN AGONIST Adlai Nortye Biopharma Co., Ltd. (CN) 2021-06-30 EP disclosed
CN-112552314-A Small-molecule anti-tumor compound of STING agonist and application thereof 杭州阿诺生物医药科技有限公司 2021-03-26 CN disclosed
CN-108329263-B 1, 8-naphthalimide amide compound and application thereof 青岛科技大学 2020-12-15 CN disclosed
CN-111655682-A High-activity STING protein agonist compound 杭州阿诺生物医药科技有限公司 2020-09-11 CN disclosed
CN-111386275-A High activity STING protein agonists 杭州阿诺生物医药科技有限公司 2020-07-07 CN disclosed
WO-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed
WO-2020038387-A1 HIGH ACTIVITY STING PROTEIN AGONIST 杭州阿诺生物医药科技有限公司 2020-02-27 WO disclosed
WO-2020038387-A1 HIGH ACTIVITY STING PROTEIN AGONIST 杭州阿诺生物医药科技有限公司 2020-02-27 WO disclosed
CN-108329263-A A kind of 1,8- naphthalimides amides compound and application thereof 青岛科技大学 2018-07-27 CN 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 (1 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-20240287093-A1 HIGH ACTIVITY STING PROTEIN AGONIST STING1, IRF3, MAVS KDM4E 3778/4885NPC1 541/4885KMT2A 4153/4885

“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.