SCHEMBL319073

SCHEMBL319073

O=C(O)c1ccc(F)c(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ACMSD Q8TDX5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MGAM O43451 1/20 0.47
PTGER1 P34995 2/20 0.43
ECE1 P42892 2/20 0.43
LMNA P02545 3/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHODH Q02127 2/20 0.42
HSD17B14 Q9BPX1 1/20 0.42
NR4A2 P43354 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL28988576 0.87 BCL2L1 (0.46) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL18652677 0.86 KDM4E (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL319496 0.82 MGAM (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1722822 0.82 KMO (0.54) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL31086447 0.80 MCL1 (0.57) P4HTMDHODHNR4A2NPC1RAB9A
SCHEMBL29254808 0.80 MCL1 (0.57) P4HTMDHODHNR4A2NPC1RAB9A
SCHEMBL29533318 0.80 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL318608 0.80 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2837730 0.79 KDM4E (0.54) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL319233 0.79 PTGS2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878983-B2 Process for fluorinating compounds DOW AGROSCIENCES LLC (US) 2018-01-30 US disclosed
US-20170066721-A1 PROCESS FOR FLUORINATING COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-03-09 US disclosed
US-20170066721-A1 PROCESS FOR FLUORINATING COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-03-09 US disclosed
CN-105899488-A Process for fluorinating compounds 美国陶氏益农公司 2016-08-24 CN disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
CN-103080106-A Cyclic ether compounds useful as kinase inhibitors NOVARTIS AG 2013-05-01 CN disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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 (4 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-20170066721-A1 PROCESS FOR FLUORINATING COMPOUNDS NEU4, NMBR, SNRPF KDM4E 307/4885ALOX15 4187/4885TSHR 269/4885
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B KDM4E 636/4885ALOX15 4473/4885TSHR 4240/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KDM4E 946/4885ALOX15 4796/4885TSHR 2328/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KDM4E 946/4885ALOX15 4796/4885TSHR 2328/4885

“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.