SCHEMBL20995678

SCHEMBL20995678

CN(C)c1cccc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ HTT P42858 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ MAPK14 Q16539 8/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ BRAF P15056 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ RAF1 P04049 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MAPK11 Q15759 1/20 0.49

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
SCHEMBL1517220 0.89 KCNK3 (0.50) MAPTHTTRAB9ASMN1; SMN2MAPK14
SCHEMBL1516907 0.87 MAPT (0.50) MAPTHTTRAB9ASMN1; SMN2CA1
SCHEMBL16533962 0.84 MAPK14 (0.56) MAPTHTTRAB9ASMN1; SMN2MAPK14
SCHEMBL1331266 0.83 CA1 (0.57) MAPTHTTRAB9ASMN1; SMN2CA1
SCHEMBL257797 0.82 CA1 (0.68) MAPTRAB9ASMN1; SMN2CA1CA2
SCHEMBL25272009 0.80 LMNA (0.61) MAPTHTTRAB9ACA1CA2
SCHEMBL31224954 0.79 TP53 (0.57) RAB9ASMN1; SMN2CA1CA2CA9
SCHEMBL14568092 0.79 HDAC1 (0.52) RAB9ASMN1; SMN2CA1CA2CA9
SCHEMBL14120424 0.78 KMT2A (0.61) CA1CA2CA9ALDH1A1TP53
SCHEMBL8970557 0.78 KCNK3 (0.70) MAPTHTTRAB9ASMN1; SMN2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481831-B1 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2023-09-06 — — EP disclosed
EP-3481831-B1 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2023-09-06 — — EP disclosed
CN-109153680-B 4-aminopyrazolo [3,4-d ] pyrimidinylazabicyclo derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2021-04-23 — — CN disclosed
US-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-09-03 — — US disclosed
US-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-09-03 — — US disclosed
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-05-30 — — US disclosed
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-05-30 — — 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-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same ITK, BTK, TYK2 MAPT 4162/4885HTT 3440/4885RAB9A 2138/4885
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same BTK, ITK, TYK2 MAPT 4017/4885HTT 3499/4885RAB9A 1928/4885

“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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