SCHEMBL15723901

SCHEMBL15723901

Cc1cc(-c2cccnc2C(C)C)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
ALOX5AP P20292 8/20 0.41
FEN1 P39748 8/20 0.41
PTGS2 P35354 2/20 0.40
GRIN2B Q13224 4/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PTGS1 P23219 1/20 0.39
GRIN1 Q05586 3/20 0.39
DAPK3 O43293 1/20 0.38
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 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
SCHEMBL15723959 0.87 FEN1 (0.45) TGFBR1ALOX5APFEN1
SCHEMBL15730142 0.83 MKNK1 (0.49) TGFBR1PTGS2GRIN2BMEN1NPC1
SCHEMBL15723966 0.83 KMO (0.46) ALOX5APFEN1
SCHEMBL15724371 0.83 FEN1 (0.45) TGFBR1ALOX5APFEN1NPC1RAB9A
SCHEMBL14555874 0.80 ALOX5AP (0.38) ALOX5APFEN1
SCHEMBL15723952 0.80 ALOX5AP (0.38) TGFBR1ALOX5APFEN1CYP2C19
SCHEMBL18853922 0.80 ALOX5AP (0.40) TGFBR1ALOX5APFEN1
SCHEMBL15723887 0.79 ALOX5AP (0.44) ALOX5APFEN1
SCHEMBL9963326 0.78 GCGR (0.42) TGFBR1PTGS2
SCHEMBL15723925 0.78 MAP4K4 (0.50) ALOX5APFEN1PIM1GSK3BCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN TGFBR1 3853/4885ALOX5AP 1825/4885FEN1 2354/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN TGFBR1 3853/4885ALOX5AP 1825/4885FEN1 2354/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN TGFBR1 3853/4885ALOX5AP 1825/4885FEN1 2354/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885ALOX5AP 1825/4885FEN1 2354/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885ALOX5AP 1825/4885FEN1 2354/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885ALOX5AP 1825/4885FEN1 2354/4885

“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.