SCHEMBL16631609

SCHEMBL16631609

CC(=O)Nc1ccc(I)c(F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
PTK2 Q05397 1/20 0.42
ADORA3 P0DMS8 7/20 0.42
ADORA2A P29274 4/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPK8 P45983 1/20 0.41
ADORA1 P30542 4/20 0.40
ADORA2B P29275 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.39
CYP1A2 P05177 2/20 0.38
GAA P10253 1/20 0.38
TDO2 P48775 1/20 0.38
SCN9A Q15858 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
SCHEMBL31438597 1.00 KDM4E (0.45) KDM4ELMNAPTK2ADORA3ADORA2A
SCHEMBL19457689 0.84 KMT2A (0.36) KDM4ELMNARAB9A
SCHEMBL27398573 0.80 ADORA3 (0.46) KDM4ELMNAPTK2ADORA3ADORA2A
SCHEMBL10200326 0.80 KDM4E (0.46) KDM4ELMNAPTK2ADORA3ADORA2A
SCHEMBL31438559 0.79 L3MBTL1 (0.38) KDM4ELMNAPTK2ADORA3ADORA2A
SCHEMBL31438491 0.79 PTK2 (0.50) KDM4ELMNAPTK2ADORA3ADORA2A
SCHEMBL18153016 0.79 PTK2 (0.50) KDM4ELMNAPTK2ADORA3ADORA2A
SCHEMBL3056162 0.79 SCN9A (0.50) KDM4ELMNAPTK2ADORA3ADORA2A
SCHEMBL24427233 0.78 ATR (0.39) LMNARAB9AGAASCN9A
SCHEMBL25189945 0.76 KDM4E (0.42) KDM4ELMNAPTK2ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-11-14 US disclosed
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP disclosed
CN-116134035-A 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2023-05-16 CN disclosed
US-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-03-23 US disclosed
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 WO disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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 (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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 KDM4E 4689/4885LMNA 776/4885PTK2 1548/4885
US-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI KDM4E 419/4885LMNA 373/4885PTK2 319/4885
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 KDM4E 1528/4885LMNA 594/4885PTK2 678/4885
US-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS F11, F2, KLKB1 KDM4E 848/4885LMNA 1285/4885PTK2 450/4885
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors F11, F2, KLKB1 KDM4E 848/4885LMNA 1285/4885PTK2 450/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI KDM4E 419/4885LMNA 373/4885PTK2 319/4885

“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.