SCHEMBL28118957

SCHEMBL28118957

Brc1ccc2c(c1)N=CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
PNMT P11086 2/20 0.36
ASIC3 Q9UHC3 1/20 0.36
PARP10 Q53GL7 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 1/20 0.33
KDM1A O60341 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CHEK2 O96017 1/20 0.32
ROS1 P08922 1/20 0.32
MARK3 P27448 1/20 0.32
LTK P29376 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
AURKB Q96GD4 1/20 0.32
PBK Q96KB5 1/20 0.32

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
SCHEMBL25940754 0.89 TRPA1 (0.36) TRPA1PNMTASIC3PARP10TDP1
SCHEMBL28119244 0.84 TRPA1 (0.38) TRPA1PNMTASIC3PARP10TDP1
SCHEMBL22900627 0.76 MEN1 (0.38) KDRNPC1HPGDOPRM1RAB9A
SCHEMBL10509271 0.76 PARP1 (0.33) PARP10PARP1KDM1AHTR2AHTR2C
SCHEMBL7934329 0.76 PARP10 (0.33) PARP10PARP1METAP1NPC1HPGD
SCHEMBL27730909 0.76 PBRM1 (0.37)
SCHEMBL23183201 0.72 MPO (0.41) HTR2AHTR2CHTR2BMETAP1
SCHEMBL22620332 0.72 PARP1 (0.41) PNMTASIC3PARP10PARP1HTR2A
SCHEMBL12961200 0.72 TRPA1 (0.34) TRPA1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL23018977 0.72 ADRA2A (0.33) ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182476-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-06-06 US disclosed
CN-106349241-A Triazole derivative having HSP90 (Heat Shock Protein) inhibiting activity, as well as preparation method and application of triazole derivative 上海翰森生物医药科技有限公司 2017-01-25 CN 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 (1 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-20240182476-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK TRPA1 4311/4885PNMT 3158/4885ASIC3 4191/4885

“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.