SCHEMBL15923640

SCHEMBL15923640

O=C(O)c1ccc(N2CCOCC2)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
PIK3CA P42336 2/20 0.45
CNR2 P34972 1/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.44
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.43
DGAT1 O75907 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KMO O15229 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3C2B O00750 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3CB P42338 2/20 0.42

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
SCHEMBL15923396 0.87 KDM4E (0.40) PKMKDM4EDGAT1ALDH1A1MCHR1
SCHEMBL124680 0.85 PKM (0.47) PKMPIK3CAGAAKDM4ENPSR1
SCHEMBL18394769 0.81 PKM (0.57) PKMPIK3CAGAAKDM4EMAPT
SCHEMBL17158108 0.78 PKM (0.53) PKMPIK3CAGAAKDM4EMAPT
SCHEMBL2130484 0.78 PKM (0.53) PKMPIK3CAGAAKDM4EMAPT
SCHEMBL4000217 0.75 TRPV1 (0.47) PKMGAAKDM4ENPSR1SMN1; SMN2
SCHEMBL17075539 0.75 PRKAB2 (0.58) PKMPIK3CAGAAKDM4EMAPT
SCHEMBL15923518 0.74 KMO (0.51) PKMPIK3CAGAAKDM4EMAPT
SCHEMBL12701252 0.72 PKM (0.71) PKMGAAKDM4EMAPTSMN1; SMN2
SCHEMBL17560109 0.72 PRMT5 (0.52) PKMPIK3CAGAAKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2021-11-02 US disclosed
US-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2020-08-06 US disclosed
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2019-05-09 US disclosed
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2018-03-08 US disclosed
US-9815857-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-20170210762-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2017-07-27 US disclosed
US-9598443-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150361104-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2015-12-17 US disclosed
WO-2014121124-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2014-08-07 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 (7 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-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP PKM 3307/4885PIK3CA 729/4885CNR2 3801/4885
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP PKM 3307/4885PIK3CA 729/4885CNR2 3801/4885
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP PKM 3307/4885PIK3CA 729/4885CNR2 3801/4885
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP PKM 3307/4885PIK3CA 729/4885CNR2 3801/4885
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP PKM 3307/4885PIK3CA 729/4885CNR2 3801/4885
US-20150361104-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP PKM 3307/4885PIK3CA 729/4885CNR2 3801/4885
US-20170210762-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP PKM 3307/4885PIK3CA 729/4885CNR2 3801/4885

“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.