SCHEMBL20359195

SCHEMBL20359195

CC(=O)N[C@@H]1CCN(c2n[nH]c3nccc(-c4ccc(C(C)NC(=O)c5cc(C(C)(C)O)on5)c(F)c4)c23)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 4/20 0.38
▸ ICAM1 P05362 4/20 0.38
▸ ITGAL P20701 4/20 0.38
▸ GRIA1 P42261 3/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ BTK Q06187 2/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ STK4 Q13043 1/20 0.34
▸ STK3 Q13188 1/20 0.34
▸ KRAS P01116 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ ACACB O00763 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ KDM5A P29375 1/20 0.33

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
SCHEMBL20359192 1.00 ITGB2 (0.38) ITGB2ICAM1ITGALGRIA1AKT1
SCHEMBL20358836 0.93 BTK (0.35) ITGB2ICAM1ITGALBTKPDE2A
SCHEMBL20358834 0.93 BTK (0.35) ITGB2ICAM1ITGALBTKPDE2A
SCHEMBL20358894 0.90 ACACB (0.39) ITGB2ICAM1ITGALAKT1PDE2A
SCHEMBL20358892 0.90 ACACB (0.39) ITGB2ICAM1ITGALAKT1PDE2A
SCHEMBL20358684 0.86 LRRK2 (0.38) ITGB2ICAM1ITGALPDE2ALRRK2
SCHEMBL20358685 0.86 LRRK2 (0.38) ITGB2ICAM1ITGALPDE2ALRRK2
SCHEMBL20358998 0.83 ACACB (0.37) PDE2AACACB
SCHEMBL20359000 0.83 ACACB (0.37) PDE2AACACB
SCHEMBL20371799 0.82 ACACB (0.36) PDE2AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US claimed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — 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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK ITGB2 1777/4885ICAM1 3217/4885ITGAL 3096/4885

“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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