SCHEMBL21966564

SCHEMBL21966564

COc1ccc(CNc2nccc3c2c(-c2ccc(C(=O)Nc4ccccn4)cc2)nn3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.48
▸ ERBB2 P04626 1/20 0.38
▸ TEC P42680 1/20 0.38
▸ TXK P42681 1/20 0.38
▸ BMX P51813 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38

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
SCHEMBL31684282 1.00 BTK (0.48) BTKERBB2TECTXKBMX
SCHEMBL31684280 1.00 BTK (0.48) BTKERBB2TECTXKBMX
SCHEMBL21965636 1.00 BTK (0.48) BTKERBB2TECTXKBMX
SCHEMBL31684327 0.93 BTK (0.44) BTK
SCHEMBL21965243 0.93 BTK (0.44) BTK
SCHEMBL21903653 0.92 BTK (0.51) BTKERBB2TECTXKBMX
SCHEMBL21903559 0.92 BTK (0.51) BTKERBB2TECTXKBMX
SCHEMBL21903564 0.92 BTK (0.51) BTKERBB2TECTXKBMX
SCHEMBL21965606 0.92 BTK (0.45) BTK
SCHEMBL31684276 0.92 BTK (0.45) BTK

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 BTK 1236/4885ERBB2 3303/4885TEC 1358/4885
US-20200140432-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PDCD11, G6PC1, PPM1D BTK 1744/4885ERBB2 3541/4885TEC 1618/4885

“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.

Send feedback