SCHEMBL84338

SCHEMBL84338

COc1cc(C(C)(C)C)cnc1N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.40
TLR8 Q9NR97 1/20 0.37
DHFR P00374 3/20 0.36
TDO2 P48775 1/20 0.36
PDE5A O76074 1/20 0.34
DGAT1 O75907 1/20 0.34
FGFR2 P21802 1/20 0.34
TGFBR1 P36897 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL20354679 0.83 CYP1A2 (0.47) FYN
SCHEMBL91419 0.82 MAPT (0.37) FYNTLR8DHFR
SCHEMBL19531679 0.80 TLR8 (0.41) TLR8
SCHEMBL20047571 0.78 TDO2 (0.37) TDO2FGFR2
SCHEMBL19803233 0.78 TDO2 (0.37) DHFRTDO2FGFR2
SCHEMBL12458404 0.78 PIK3CA (0.38) TDO2FGFR2
SCHEMBL17996185 0.77 ALDH1A1 (0.38) TDO2FGFR2
SCHEMBL21590041 0.75 KMT2A (0.42) DGAT1
SCHEMBL2616551 0.75 FYN (0.44) FYNTLR8PDE5ATGFBR1CHEK2
SCHEMBL10202034 0.75 NOS3 (0.58) DGAT1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (11 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-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 FYN 4297/4885TLR8 1412/4885DHFR 1005/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 FYN 4297/4885TLR8 1412/4885DHFR 1005/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 FYN 4297/4885TLR8 1412/4885DHFR 1005/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP FYN 4253/4885TLR8 1303/4885DHFR 1049/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 FYN 4223/4885TLR8 1513/4885DHFR 1053/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 FYN 4297/4885TLR8 1412/4885DHFR 1005/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A FYN 3132/4885TLR8 3661/4885DHFR 1914/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 FYN 4236/4885TLR8 1466/4885DHFR 913/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS FYN 628/4885TLR8 3899/4885DHFR 334/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS FYN 520/4885TLR8 4357/4885DHFR 756/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 FYN 3218/4885TLR8 3689/4885DHFR 2031/4885

“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.