SCHEMBL13301396

SCHEMBL13301396

CC(C)c1[nH]ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 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
SCHEMBL27944249 0.84 MAPT (0.46) MAPTIKBKBCHUKDAPK3JAK2
SCHEMBL27944237 0.84 MAPT (0.42) MAPTIKBKBCHUKDAPK3JAK2
SCHEMBL27954146 0.84 MAPT (0.46) MAPTIKBKBCHUKDAPK3JAK2
SCHEMBL27944264 0.81 MAPT (0.40) MAPTIKBKBCHUKDAPK3JAK2
SCHEMBL27944265 0.81 MAPT (0.40) MAPTIKBKBCHUKDAPK3JAK2
SCHEMBL27944226 0.76 MAPT (0.42) MAPTIKBKBCHUKDAPK3JAK2
SCHEMBL28809811 0.76 MAPT (0.42) MAPTIKBKBCHUKDAPK3JAK2
SCHEMBL27954121 0.73 MAPT (0.43) MAPTIKBKBCHUKDAPK3JAK2
SCHEMBL27954120 0.73 MAPT (0.43) MAPTIKBKBCHUKDAPK3JAK2
SCHEMBL7217545 0.72 PARP1 (0.40) JAK2PRKD3MAP4K4PAK4IGF1R

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-11116774-B2 Modulators of toll-like receptors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2017-03-09 US disclosed
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2017-03-09 US disclosed
US-9573952-B2 Methods of preparing toll-like receptor modulators GILEAD SCIENCES, INC. (US) 2017-02-21 US disclosed
US-9452166-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2016-09-27 US disclosed
US-20160075707-A1 METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES, INC. 2016-03-17 US disclosed
US-20160015713-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-20160008374-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2016-01-14 US disclosed
US-9127006-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2015-09-08 US disclosed
US-20140316132-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2014-10-23 US disclosed
US-8809527-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140081022-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2014-03-20 US disclosed
US-8629142-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2014-01-14 US disclosed
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2013-03-21 US disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 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 (10 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-20160075707-A1 METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS TLR3, TLR4, TLR6 MAPT 4719/4885IKBKB 346/4885CHUK 581/4885
US-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 MAPT 4410/4885IKBKB 148/4885CHUK 648/4885
US-20160008374-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR7, TLR3, TLR6 MAPT 3071/4885IKBKB 189/4885CHUK 614/4885
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 MAPT 4410/4885IKBKB 148/4885CHUK 648/4885
US-11116774-B2 Modulators of toll-like receptors for the treatment of HIV TLR7, TLR3, TLR6 MAPT 3071/4885IKBKB 189/4885CHUK 614/4885
US-20140316132-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 MAPT 4410/4885IKBKB 148/4885CHUK 648/4885
US-20140081022-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 MAPT 4410/4885IKBKB 148/4885CHUK 648/4885
US-20160015713-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 MAPT 4410/4885IKBKB 148/4885CHUK 648/4885
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 MAPT 4410/4885IKBKB 148/4885CHUK 648/4885
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 MAPT 4410/4885IKBKB 148/4885CHUK 648/4885

“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.