SCHEMBL21965629

SCHEMBL21965629

COc1ccc(CNc2ncc(-c3cnn(C)c3)c3c2c(-c2ccc(C(=O)Nc4ccccc4)cc2)nn3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 1/20 0.42
▸ ITK Q08881 2/20 0.38
▸ BTK Q06187 9/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ RET P07949 1/20 0.35
▸ FGFR3 P22607 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ MAPT P10636 2/20 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
SCHEMBL21903856 0.94 BTK (0.41) ITKBTKFGFR3KDRAURKB
SCHEMBL21903852 0.94 BTK (0.41) ITKBTKFGFR3KDRAURKB
SCHEMBL21903891 0.92 BTK (0.44) IRAK1ITKBTK
SCHEMBL24040170 0.91 ITK (0.40) ITKBTKMAPT
SCHEMBL31684307 0.91 ITK (0.40) ITKBTKMAPT
SCHEMBL21965633 0.90 ITK (0.41) ITKBTKUSP30
SCHEMBL31684277 0.90 ITK (0.41) ITKBTKUSP30
SCHEMBL21965595 0.90 BTK (0.40) ITKBTK
SCHEMBL21965765 0.90 ITK (0.40) ITKBTKUSP30
SCHEMBL31684300 0.90 BTK (0.40) ITKBTK

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-11180496-B2 1H-pyrazolopyridine derivative and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-11-23 — — US disclosed
US-20200140432-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-05-07 — — 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-11180496-B2 1H-pyrazolopyridine derivative and pharmaceutical composition comprising the same PDCD11, DPYD, G6PC1 IRAK1 516/4885ITK 409/4885BTK 1236/4885
US-20200140432-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PDCD11, G6PC1, PPM1D IRAK1 559/4885ITK 638/4885BTK 1744/4885

“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.

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