SCHEMBL25812361

SCHEMBL25812361

C=C(NCC)c1cnn2cc(-c3cnn(C)c3)cc(O)c12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RET P07949 18/20 0.42
MARK3 P27448 1/20 0.41
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 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
SCHEMBL23501147 0.86 MARK3 (0.50) RETMARK3HSP90AA1HSP90AB1
SCHEMBL23501280 0.77 RET (0.43) RET
SCHEMBL23501220 0.77 CLK1 (0.46) RETMARK3
SCHEMBL23501312 0.77 ALDH1A1 (0.40) RET
SCHEMBL23501131 0.77 MKNK1 (0.46) RET
SCHEMBL23501223 0.75 TTK (0.42) RET
SCHEMBL23501179 0.74 RET (0.44) RET
SCHEMBL18390079 0.74 RET (0.52) RET
SCHEMBL2354012 0.73 RET (0.48) RET
SCHEMBL31580179 0.73 RET (0.56) RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219979-A1 PYRAZOLO[1,5-a]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHENZHEN ZHONGGE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) 2023-07-13 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 (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-20230219979-A1 PYRAZOLO[1,5-a]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF RET, GRK4, RIN1 RET 1/4885MARK3 2052/4885HSP90AA1 3350/4885

“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.