SCHEMBL15723903

SCHEMBL15723903

Cc1ccc2cc(-c3cccnc3C(C)C)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
PIK3CA P42336 2/20 0.42
SYK P43405 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CASP6 P55212 1/20 0.41
KDR P35968 2/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL15723963 0.85 RAB9A (0.62) TGFBR1POLBCYP1A2NPC1RAB9A
SCHEMBL15730144 0.84 POLB (0.47) TGFBR1POLBCYP1A2NPC1RAB9A
SCHEMBL15723965 0.82 GSTP1 (0.47) POLBCYP1A2NPC1RAB9AFFAR4
SCHEMBL15723912 0.79 ALDH1A1 (0.50) TGFBR1POLBCYP1A2NPC1RAB9A
SCHEMBL15723962 0.77 TGFBR1 (0.52) TGFBR1POLBNPC1RAB9APIK3CA
SCHEMBL18852471 0.77 HPGDS (0.42) NPC1RAB9A
SCHEMBL15723922 0.77 PIK3CD (0.50) CYP1A2PIK3CAKDRPIK3CDABL1
SCHEMBL15598665 0.76 BACE1 (0.59) TGFBR1POLBCYP1A2NPC1RAB9A
SCHEMBL15723968 0.75 CYP11B2 (0.54) CYP1A2NPC1RAB9AFFAR4
SCHEMBL23501974 0.74 TDO2 (0.43) TGFBR1POLBNPC1RAB9APIK3CA

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 11 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-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-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 3853/4885POLB 1747/4885CYP1A2 489/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN TGFBR1 3853/4885POLB 1747/4885CYP1A2 489/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN TGFBR1 3853/4885POLB 1747/4885CYP1A2 489/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885POLB 1747/4885CYP1A2 489/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885POLB 1747/4885CYP1A2 489/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885POLB 1747/4885CYP1A2 489/4885

“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.