SCHEMBL20358863

SCHEMBL20358863

O=C(NCc1ccc(-c2ccnc3[nH]nc(NC4CCNC4)c23)cc1F)c1cc(-c2ccccc2)on1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.43
▸ RAB9A P51151 8/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ NPC1 O15118 6/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ACKR3 P25106 1/20 0.37

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
SCHEMBL20359432 1.00 BTK (0.43) BTKRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL20358344 0.90 BTK (0.44) BTKKMT2AMEN1
SCHEMBL20359580 0.90 BTK (0.44) BTKKMT2AMEN1
SCHEMBL20358642 0.89 BTK (0.40) BTK
SCHEMBL20358646 0.89 BTK (0.40) BTK
SCHEMBL20359772 0.89 BTK (0.55) BTK
SCHEMBL20359281 0.85 BTK (0.40) BTKRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL20359017 0.85 BTK (0.40) BTKRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL20359236 0.85 BTK (0.41) BTKRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL20360071 0.83 BTK (0.48) 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-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

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 1/4885RAB9A 2437/4885SMN1; 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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