SCHEMBL18348293

SCHEMBL18348293

COC(=O)c1cnc(I)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
KDM4E B2RXH2 4/20 0.49
MAPK1 P28482 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PSMD14 O00487 1/20 0.43
CYP2A6 P11509 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
XDH P47989 2/20 0.40
POLB P06746 2/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL987839 0.82 KDM4E (0.53) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL335203 0.81 ATM (0.55) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL30415121 0.81 MAPK1 (0.50) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL335107 0.81 MAPK1 (0.50) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL5819835 0.81 KDM4E (0.49) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL31629408 0.81 MAPK1 (0.46) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL10131341 0.81 MAPT (0.46) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL31681411 0.80 ATM (0.53) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL719767 0.80 ATM (0.53) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL4512642 0.79 CA1 (0.54) ATMKDM4EMAPK1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632910-B1 3,4-DIHYDROQUINOLINONES AS FXR RECEPTOR AGONISTS CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2024-07-17 EP disclosed
CN-115003673-B Dihydropyrimidine compound, preparation method and application thereof 上海维申医药有限公司 2023-08-11 CN disclosed
CN-115003673-A Dihydropyrimidine compound, and preparation method and application thereof 上海维申医药有限公司 2022-09-02 CN disclosed
WO-2022121844-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-16 WO disclosed
CN-114621219-A Dihydropyrimidine compound, and preparation method and application thereof 上海维申医药有限公司 2022-06-14 CN disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 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 (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-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 ATM 620/4885KDM4E 1180/4885MAPK1 295/4885

“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.