SCHEMBL20358828

SCHEMBL20358828

CC(C)c1cc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCCN(C(=O)N(C)C)[C@@H]5C)c34)cc2F)no1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.39
▸ POLB P06746 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PSMB8 P28062 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ LCK P06239 2/20 0.34

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
SCHEMBL20358975 0.92 JAK3 (0.39) BTKLCK
SCHEMBL20358503 0.92 BTK (0.38) BTKSMN1; SMN2PSMB8PSMB5RAB9A
SCHEMBL20358386 0.92 BTK (0.39) BTKMEN1KMT2AHCRTR1HCRTR2
SCHEMBL20358816 0.91 BTK (0.44) BTKLCK
SCHEMBL20358772 0.90 BTK (0.43) BTKLCK
SCHEMBL20359717 0.87 BTK (0.42) BTKPOLBSMN1; SMN2MEN1ALDH1A1
SCHEMBL20358845 0.86 BTK (0.56) BTKLCK
SCHEMBL20359213 0.84 BTK (0.39) BTKRAB9ALCK
SCHEMBL20359588 0.83 JAK3 (0.39) BTKLCK
SCHEMBL20359271 0.82 BTK (0.49) BTKLCK

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 BTK 1/4885POLB 1164/4885SMN1; SMN2 4486/4885

“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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