SCHEMBL20359236

SCHEMBL20359236

CN(C)C(=O)N1CC[C@@H](Nc2n[nH]c3nccc(-c4ccc(CNC(=O)c5cc(-c6ccccc6)on5)c(F)c4)c23)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.41
▸ MLNR O43193 2/20 0.38
▸ RAB9A P51151 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SCD O00767 1/20 0.37
▸ SCD5 Q86SK9 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ FAAH O00519 1/20 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
SCHEMBL20359281 0.91 BTK (0.40) BTKRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL20359017 0.91 BTK (0.40) BTKRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL20359863 0.91 BTK (0.43) BTKMLNRSMN1; SMN2L3MBTL1
SCHEMBL20359242 0.91 BTK (0.43) BTKMLNRSMN1; SMN2L3MBTL1
SCHEMBL20358527 0.89 BTK (0.49) BTKMLNR
SCHEMBL20358676 0.85 BTK (0.41) BTKMLNR
SCHEMBL20359305 0.85 BTK (0.41) BTKMLNR
SCHEMBL20359432 0.85 BTK (0.43) BTKRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL20358863 0.85 BTK (0.43) BTKRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL20359003 0.84 BTK (0.44) BTKMLNR

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 1/4885MLNR 1993/4885RAB9A 2437/4885

“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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