SCHEMBL16809249

SCHEMBL16809249

CCC(=O)Nc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2C2 P49116 13/20 1.00
HCK P08631 12/20 1.00
GCK P35557 3/20 1.00
MAP3K7 O43318 7/20 0.86
MAP4K2 Q12851 7/20 0.86
MAPK14 Q16539 7/20 0.86
FES P07332 4/20 0.86
FER P16591 4/20 0.86
BTK Q06187 1/20 0.83
MAP3K20 Q9NYL2 4/20 0.70
MAP4K4 O95819 1/20 0.64
ABL1 P00519 1/20 0.64
RAF1 P04049 1/20 0.64
LYN P07948 1/20 0.64
SRC P12931 1/20 0.64
EPHA2 P29317 1/20 0.64
EPHB2 P29323 1/20 0.64
FLT3 P36888 1/20 0.64
CSK P41240 1/20 0.64
ABL2 P42684 1/20 0.64

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
SCHEMBL16809250 0.93 NR2C2 (1.00) NR2C2HCKGCKMAP3K7MAP4K2
SCHEMBL30967732 0.93 NR2C2 (1.00) NR2C2HCKGCKMAP3K7MAP4K2
SCHEMBL30967730 0.93 NR2C2 (1.00) NR2C2HCKGCKMAP3K7MAP4K2
SCHEMBL16809248 0.93 NR2C2 (1.00) NR2C2HCKGCKMAP3K7MAP4K2
SCHEMBL30967725 0.91 NR2C2 (1.00) NR2C2HCKGCKMAP3K7MAP4K2
SCHEMBL16794578 0.91 NR2C2 (1.00) NR2C2HCKGCKMAP3K7MAP4K2
SCHEMBL30967740 0.91 NR2C2 (0.85) NR2C2HCKGCKMAP3K7MAP4K2
SCHEMBL16809223 0.91 NR2C2 (0.85) NR2C2HCKGCKMAP3K7MAP4K2
SCHEMBL18195407 0.90 NR2C2 (0.86) NR2C2HCKGCKMAP3K7MAP4K2
SCHEMBL30967734 0.90 NR2C2 (1.00) NR2C2HCKGCKMAP3K7MAP4K2

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
US-RE50030-E1 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. 2018-07-12 US disclosed
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. 2018-07-12 US disclosed
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-03 US disclosed
WO-2015089479-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 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 (3 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-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 NR2C2 2385/4885HCK 497/4885GCK 2762/4885
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 NR2C2 2385/4885HCK 497/4885GCK 2762/4885
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 NR2C2 2588/4885HCK 562/4885GCK 2948/4885

“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.