SCHEMBL22834516

SCHEMBL22834516

COc1cnc2c(N)cnn2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR2 P37173 3/20 0.50
ACVR2A P27037 1/20 0.50
SMPD3 Q9NY59 2/20 0.44
KDR P35968 12/20 0.44
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
DYRK3 O43781 1/20 0.44
MAP4K4 O95819 1/20 0.44
NTRK1 P04629 1/20 0.44
INSR P06213 1/20 0.44
CDK1 P06493 1/20 0.44
FGFR1 P11362 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
FLT3 P36888 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL25791708 0.80 TGFBR2 (0.51) TGFBR2ACVR2AKDRFLT1FLT4
SCHEMBL13822288 0.79 KDR (0.68) TGFBR2ACVR2AKDRFLT1FLT4
SCHEMBL21893829 0.76 SMPD3 (0.48) SMPD3KDRHSD11B1PDE2A
SCHEMBL4395064 0.75 SMPD3 (0.52) SMPD3KDRFLT1FLT4PRKAB1
SCHEMBL359148 0.75 HSD11B1 (0.52) TGFBR2ACVR2AKDRFLT1FLT4
SCHEMBL17052954 0.75 TGFBR2 (0.47) TGFBR2ACVR2AKDRFLT1FLT4
Hydrochloric Acid SCHEMBL22835004 0.74 SMPD3 (0.47) SMPD3KDRHSD11B1PDE2A
SCHEMBL17074794 0.74 ACVR2A (0.37) TGFBR2ACVR2AKDRFLT1FLT4
SCHEMBL22834525 0.72 SMPD3 (0.48) SMPD3KDRFLT1FLT4
Hydrochloric Acid SCHEMBL22834582 0.70 SMPD3 (0.47) SMPD3KDRFLT1FLT4

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
CN-114585609-B 2H-indazole derivatives and their use in the treatment of diseases 比奥根MA公司 2024-07-30 CN disclosed
CN-114245796-B Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of diseases 比奥根MA公司 2024-07-30 CN disclosed
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 US disclosed
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 US disclosed
EP-3990432-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 EP disclosed
EP-3990454-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 EP disclosed
WO-2020263980-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO disclosed
WO-2020263980-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO disclosed
WO-2020263967-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO 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-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 TGFBR2 1371/4885ACVR2A 1739/4885SMPD3 2642/4885
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 TGFBR2 807/4885ACVR2A 821/4885SMPD3 2851/4885

“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.