SCHEMBL15328845

SCHEMBL15328845

NCCCN1CCC(F)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.39
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
EHMT2 Q96KQ7 2/20 0.33
ALOX15 P16050 1/20 0.33
CHRM3 P20309 1/20 0.33
KIF11 P52732 1/20 0.32

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
SCHEMBL2441195 1.00 KEAP1 (0.43) KEAP1SMN1; SMN2HRH3GNAI3GNAO1
SCHEMBL2441151 1.00 KEAP1 (0.43) KEAP1SMN1; SMN2HRH3GNAI3GNAO1
SCHEMBL856513 0.94 GNAI3 (0.40) KEAP1SMN1; SMN2HRH3GNAI3GNAO1
SCHEMBL855029 0.94 GNAI3 (0.40) KEAP1SMN1; SMN2HRH3GNAI3GNAO1
SCHEMBL855030 0.94 GNAI3 (0.40) KEAP1SMN1; SMN2HRH3GNAI3GNAO1
SCHEMBL18233685 0.90 KEAP1 (0.39) KEAP1SMN1; SMN2HRH3SIGMAR1
Hydrochloric Acid SCHEMBL18225621 0.88 HRH3 (0.38) KEAP1SMN1; SMN2HRH3GNAI3GNAO1
SCHEMBL2439975 0.86
SCHEMBL6333888 0.86
SCHEMBL4030838 0.86 KEAP1 (0.58) KEAP1SMN1; SMN2HRH3GNAI3GNAO1

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 14 patents. 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
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
WO-2021014365-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-01-28 WO disclosed
WO-2021014365-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-01-28 WO disclosed
EP-2838895-B1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
EP-2838895-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2015-02-25 EP disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
WO-2013156608-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 WO 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-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof STING1, CGAS, MAVS KEAP1 813/4885SMN1; SMN2 2159/4885HRH3 546/4885
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 KEAP1 3635/4885SMN1; SMN2 1502/4885HRH3 38/4885
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof STING1, CGAS, MAVS KEAP1 813/4885SMN1; SMN2 2159/4885HRH3 546/4885

“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.