SCHEMBL18239674

SCHEMBL18239674

Cc1ccc2cncnn12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16417553 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3469449 0.69 EGLN2 (0.31)
SCHEMBL14616502 0.68 IRAK4 (0.35)
SCHEMBL358173 0.68 CYP1A2 (0.41) ALDH1A1
SCHEMBL12946343 0.65 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10258880 0.65 KDM4E (0.32)
SCHEMBL16417614 0.64 EGFR (0.31)
SCHEMBL17303586 0.63
SCHEMBL10259326 0.63 CHEK1 (0.35) ALDH1A1
SCHEMBL19353946 0.61 LMNA (0.30)

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-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 US disclosed
EP-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 EP disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US disclosed
EP-4105216-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-12-21 EP disclosed
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed
EP-3212175-B1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES INC (US) 2021-11-24 EP disclosed
WO-2021216572-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 WO disclosed
WO-2021160109-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 劲方医药科技(上海)有限公司 2021-08-19 WO disclosed
US-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 US disclosed
EP-3466929-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2019-04-10 EP disclosed
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 WO disclosed
WO-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 WO disclosed
WO-2017156262-A1 ACYCLIC ANTIVIRALS ALIOS BIOPHARMA, INC. (US) 2017-09-14 WO disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 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 (5 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-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF STING1, CGAS, TLR9 ALDH1A1 4863/4885
US-11046686-B2 Thiadiazole IRAK4 compounds IRAK4, IRAK3, IRAK2 ALDH1A1 2000/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ALDH1A1 2151/4885
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 ALDH1A1 2362/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 ALDH1A1 3968/4885

“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.