SCHEMBL12946292

SCHEMBL12946292

CC(C)c1cccc2c1nc(N)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.43
NTRK1 P04629 1/20 0.39
LTK P29376 1/20 0.39
TYRO3 Q06418 1/20 0.39
NTRK2 Q16620 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TLR8 Q9NR97 5/20 0.38
LMNA P02545 2/20 0.37
PRMT5 O14744 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
MMP12 P39900 1/20 0.36
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL12913590 0.83 CASR (0.40) CASRTLR8LMNAFAAHCA1
SCHEMBL14301806 0.81 CASR (0.47) CASRLMNAFAAHCA1CA2
SCHEMBL21555489 0.78 TLR8 (0.57) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL2541919 0.77 TLR8 (0.58) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL12946293 0.76 CLK4 (0.35) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL20298081 0.75 PRMT5 (0.54) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL21555491 0.75 TLR8 (0.59) NTRK1LTKTYRO3NTRK2CLK4
Hydrochloric Acid SCHEMBL28262897 0.75 TLR8 (0.56) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL21555505 0.75 SMN1; SMN2 (0.41) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL31005200 0.75 MMP12 (0.47) NTRK1LTKTYRO3NTRK2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 EP disclosed
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-02-23 US disclosed
WO-2022148422-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEIGENE, LTD. (KY) 2022-07-14 WO disclosed
US-20210230115-A1 Antibacterial Compounds Infex Therapeutics Limited (GB) 2021-07-29 US disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 CASR 1630/4885NTRK1 4275/4885LTK 2139/4885
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS GAA, MGAM, NQO1 CASR 3730/4885NTRK1 4806/4885LTK 4139/4885
US-20210230115-A1 Antibacterial Compounds GAA, MGAM, NQO1 CASR 3730/4885NTRK1 4806/4885LTK 4139/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 CASR 1740/4885NTRK1 4397/4885LTK 2155/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 CASR 1630/4885NTRK1 4275/4885LTK 2139/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CASR 2222/4885NTRK1 4037/4885LTK 4535/4885

“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.