SCHEMBL29520764

SCHEMBL29520764

FC(F)c1ccc2[nH]ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.54
NOS1 P29475 4/20 0.53
ROCK2 O75116 3/20 0.53
MAPT P10636 2/20 0.53
ROCK1 Q13464 2/20 0.53
METAP2 P50579 1/20 0.53
CSNK2A1 P68400 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CLK1 P49759 2/20 0.49
GSK3B P49841 2/20 0.49
DYRK3 O43781 1/20 0.49
CLK2 P49760 1/20 0.49

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
SCHEMBL84462 0.85 TRPA1 (0.54) TRPA1NOS1ROCK2MAPTROCK1
SCHEMBL30074251 0.81 ROCK2 (0.50) TRPA1NOS1ROCK2MAPTROCK1
SCHEMBL20841219 0.81 NOS1 (0.55) TRPA1NOS1ROCK2MAPTROCK1
SCHEMBL22079235 0.81 ROCK2 (0.55) TRPA1NOS1ROCK2MAPTROCK1
SCHEMBL27995719 0.81 NOS1 (0.55) TRPA1NOS1ROCK2MAPTROCK1
SCHEMBL1754871 0.81 ROCK2 (0.55) TRPA1NOS1ROCK2MAPTROCK1
SCHEMBL263567 0.81 ROCK2 (0.55) TRPA1NOS1ROCK2MAPTROCK1
Hydrochloric Acid SCHEMBL28598924 0.80 ROCK2 (0.53) TRPA1NOS1ROCK2MAPTROCK1
Hydrochloric Acid SCHEMBL1210017 0.80 ROCK2 (0.53) TRPA1NOS1ROCK2MAPTROCK1
Hydrochloric Acid SCHEMBL29915566 0.80 ROCK2 (0.53) TRPA1NOS1ROCK2MAPTROCK1

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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same 1ST Biotherapeutics, Inc. (KR) 2023-05-16 US disclosed
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME 1ST Biotherapeutics, Inc. 2022-03-31 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 (2 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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same IP6K1, HIPK1, IP6K3 TRPA1 4861/4885NOS1 2864/4885ROCK2 1025/4885
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME IP6K1, HIPK1, IP6K3 TRPA1 4861/4885NOS1 2864/4885ROCK2 1025/4885

“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.