SCHEMBL1164348

SCHEMBL1164348

C=Cc1ccc(C(=O)Nc2ccc3c(c2)B(O)OC3(C)C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
USP28 Q96RU2 2/20 0.35
SMO Q99835 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 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
SCHEMBL2309343 0.89 JAK3 (0.38) JAK3BTKRAB9ANPC1KMT2A
SCHEMBL2310600 0.86 RAB9A (0.52) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL2308849 0.85 JAK3 (0.41) JAK3BTKRAB9ANPC1KMT2A
SCHEMBL2312000 0.85 RAB9A (0.53) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL2312939 0.84 RAB9A (0.42) JAK3BTKRAB9ANPC1KMT2A
SCHEMBL2312590 0.84 GRM4 (0.45) JAK3BTKRAB9ANPC1MAPT
SCHEMBL2310677 0.84 NPC1 (0.40) JAK3BTKRAB9ANPC1KMT2A
SCHEMBL2311392 0.84 KMT2A (0.39) JAK3BTKRAB9ANPC1KMT2A
SCHEMBL2311049 0.83 PKM (0.49) RAB9ANPC1KMT2AMAPTSMO
SCHEMBL1164499 0.82 PLG (0.41) JAK3BTKRAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2016-11-24 US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2011019618-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-17 WO disclosed
WO-2011019618-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-17 WO 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 (4 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-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885RAB9A 627/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885RAB9A 627/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885RAB9A 627/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP JAK3 3665/4885BTK 68/4885RAB9A 627/4885

“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.