SCHEMBL3975713

SCHEMBL3975713

CS(=O)(=O)N1CCN(CCCN)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM1A O60341 1/20 0.42
ALOX15 P16050 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2D6 P10635 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LOX P28300 1/20 0.40
PTGS2 P35354 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL10064483 0.88 ALOX15 (0.56) SMN1; SMN2KDM1AALOX15CYP2D6HRH2
SCHEMBL1100792 0.82 KDM1A (0.43) SMN1; SMN2KDM1ACYP2D6HRH2HRH1
SCHEMBL14670865 0.82 PTGS2 (0.54) KDM1AHRH2HRH1KDM4EPTGS2
SCHEMBL4508386 0.80 KDM1A (0.42) SMN1; SMN2KDM1ACYP2D6HRH2HRH1
SCHEMBL297710 0.80 HRH2 (0.43) SMN1; SMN2KDM1ACYP2D6HRH2HRH1
SCHEMBL20376410 0.80 HRH2 (0.52) KDM1ASIGMAR1HRH2HRH1KDM4E
Hydrochloric Acid SCHEMBL1361775 0.78 HRH2 (0.42) SMN1; SMN2KDM1AALOX15CYP2D6HRH2
SCHEMBL4508388 0.78 HRH2 (0.42) KDM1AHRH2HRH1KDM4EPTGS2
SCHEMBL38665905 0.78 GNAI3 (0.53) SIGMAR1HRH2HRH1KDM4EPTGS2
SCHEMBL1616800 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof LUPIN LIMITED (IN) 2025-11-25 US disclosed
EP-4004002-B1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LTD (IN) 2024-07-10 EP disclosed
CN-114174303-B Macrocyclic compounds as STING agonists and methods and uses thereof 印度鲁宾有限公司 2024-06-25 CN disclosed
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof LUPIN LIMITED (IN) 2022-09-15 US disclosed
EP-4004002-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF Lupin Limited (IN) 2022-06-01 EP disclosed
CN-114174303-A Macrocyclic compounds as STING agonists, methods and uses thereof 印度鲁宾有限公司 2022-03-11 CN disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
EP-2054392-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA Boehringer Ingelheim International GmbH (DE) 2009-05-06 EP disclosed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 KEAP1 4169/4885SMN1; SMN2 4665/4885KDM1A 1316/4885
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH KEAP1 1627/4885SMN1; SMN2 3836/4885KDM1A 1739/4885
US-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof STING1, CGAS, MAVS KEAP1 813/4885SMN1; SMN2 2159/4885KDM1A 4637/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH KEAP1 1627/4885SMN1; SMN2 3836/4885KDM1A 1739/4885
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof STING1, CGAS, MAVS KEAP1 813/4885SMN1; SMN2 2159/4885KDM1A 4637/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 KEAP1 4169/4885SMN1; SMN2 4665/4885KDM1A 1316/4885

“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.