SCHEMBL3465036

SCHEMBL3465036

COC(=O)c1cccnc1C#N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.56
TDP1 Q9NUW8 1/20 0.51
MAP2K1 Q02750 1/20 0.49
KDM4E B2RXH2 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
CNR2 P34972 1/20 0.44
CFTR P13569 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.42
BDKRB1 P46663 1/20 0.42

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
SCHEMBL8834494 0.85 TDP1 (0.53) PLCG1TDP1MAP2K1KDM4EL3MBTL1
SCHEMBL2800784 0.83 TSHR (0.54) PLCG1KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL2961058 0.81 PLCG1 (0.49) PLCG1TDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL6543887 0.80 BDKRB1 (0.48) PLCG1KDM4EALDH1A1POLBCNR2
SCHEMBL1663588 0.79 KDM4E (0.57) PLCG1TDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL13041790 0.79 PLCG1 (0.44) PLCG1MAP2K1KDM4EALDH1A1HSD17B10
SCHEMBL10568384 0.78 NLRP3 (0.48) ALDH1A1POLBATMLMNATSHR
SCHEMBL1972332 0.78 ATR (0.44) PLCG1TDP1MAP2K1KDM4EALDH1A1
SCHEMBL10402120 0.77 KDM4E (0.55) PLCG1TDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL9596105 0.77 PARP1 (0.56) PLCG1TDP1KDM4EL3MBTL1ALDH1A1

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-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
EP-3077008-B1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS HAN JIE (CN) 2023-10-04 EP 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
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS Han, Jie (US) 2020-09-17 US disclosed
US-10626156-B2 Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs Han, Jie (US) 2020-04-21 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed
US-4908375-A Fungicides RHONE-POULENC AGROCHIMIE (FR) 1990-03-13 US disclosed
US-4851396-A Fungicidal compositions based on nicotinic acid derivatives, new nicotinic acid derivatives and preparation thereof RHONE-POULENC AGROCHIMIE (FR) 1989-07-25 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 (7 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 PLCG1 777/4885TDP1 251/4885MAP2K1 4712/4885
US-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 PLCG1 1708/4885TDP1 30/4885MAP2K1 1471/4885
US-10626156-B2 Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs NOS2, EGLN2, HPGD PLCG1 4235/4885TDP1 1341/4885MAP2K1 4847/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 PLCG1 3622/4885TDP1 3835/4885MAP2K1 3068/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 PLCG1 3622/4885TDP1 3835/4885MAP2K1 3068/4885
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof STING1, CGAS, MAVS PLCG1 777/4885TDP1 251/4885MAP2K1 4712/4885
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD PLCG1 4235/4885TDP1 1341/4885MAP2K1 4847/4885

“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.