SCHEMBL21965633

SCHEMBL21965633

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 5/20 0.41
▸ BTK Q06187 12/20 0.40
▸ NAMPT P43490 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36

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
SCHEMBL31684277 1.00 ITK (0.41) ITKBTKNAMPTKDM4EALDH1A1
SCHEMBL31684307 0.94 ITK (0.40) ITKBTKNAMPT
SCHEMBL24040170 0.94 ITK (0.40) ITKBTKNAMPT
SCHEMBL31684314 0.93 ITK (0.40) ITKBTKNAMPT
SCHEMBL21965765 0.93 ITK (0.40) ITKBTKNAMPTUSP30
SCHEMBL31684321 0.93 ITK (0.40) ITKBTKNAMPTUSP30
SCHEMBL21965595 0.93 BTK (0.40) ITKBTKNAMPT
SCHEMBL31684300 0.93 BTK (0.40) ITKBTKNAMPT
SCHEMBL21903813 0.93 BTK (0.43) ITKBTKNAMPTKDM4EALDH1A1
SCHEMBL21903816 0.93 BTK (0.43) ITKBTKNAMPTKDM4EALDH1A1

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 ITK 409/4885BTK 1236/4885NAMPT 1282/4885
US-20200140432-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PDCD11, G6PC1, PPM1D ITK 638/4885BTK 1744/4885NAMPT 1168/4885

“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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