SCHEMBL20535848

SCHEMBL20535848

COC(=O)c1cc2c(B(O)O)cccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
CYP1A2 P05177 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
NR4A2 P43354 2/20 0.44
ULK1 O75385 1/20 0.44
FLT3 P36888 1/20 0.44
XDH P47989 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALOX5 P09917 1/20 0.42
IDO1 P14902 1/20 0.42
PTPN1 P18031 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 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
SCHEMBL12801481 0.83 KDM4E (0.54) CYP1A2GLAGAAKDM4EALDH1A1
SCHEMBL30310659 0.81 HRH4 (0.55) KIF11CYP1A2GLAGAANR4A2
SCHEMBL2134591 0.81 FLT3 (0.58) KIF11CYP1A2GLAGAANR4A2
SCHEMBL915460 0.81 HRH4 (0.55) KIF11CYP1A2GLAGAANR4A2
SCHEMBL2323348 0.80 FLT3 (0.59) KIF11CYP1A2GLAGAANR4A2
SCHEMBL2205092 0.80 HRH4 (0.56) KIF11CYP1A2GLAGAANR4A2
SCHEMBL8655451 0.80 HRH4 (0.56) KIF11CYP1A2GLAGAANR4A2
SCHEMBL5568273 0.80 FLT3 (0.59) KIF11CYP1A2GLAGAANR4A2
SCHEMBL217459 0.80 FLT3 (0.66) GLAGAAULK1FLT3KDM4E
SCHEMBL6308070 0.79 FLT3 (0.51) KIF11CYP1A2GLAGAAULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 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 (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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS KIF11 3091/4885CYP1A2 3007/4885GLA 3695/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS KIF11 2519/4885CYP1A2 2405/4885GLA 2360/4885

“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.