SCHEMBL17469770

SCHEMBL17469770

Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.72
MAP4K4 O95819 6/20 0.45
SRC P12931 1/20 0.41
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NR4A2 P43354 1/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
MAP2K4 P45985 1/20 0.36
FFAR1 O14842 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
RARA P10276 1/20 0.35
LDHA P00338 1/20 0.35

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
SCHEMBL21103785 0.91 FLT3 (0.76) FLT3MAP4K4SRC
SCHEMBL19891534 0.87 FLT3 (0.68) FLT3MAP4K4SRC
SCHEMBL21102878 0.87 FLT3 (0.73) FLT3MAP4K4SRCNR4A2
SCHEMBL18999186 0.86 FLT3 (0.54) FLT3MAP4K4RARBRARGMAP2K4
SCHEMBL21103118 0.86 FLT3 (0.76) FLT3MAP4K4SRC
SCHEMBL19891378 0.83 FLT3 (0.54) FLT3MAP4K4SRCLDHA
SCHEMBL19891658 0.83 FLT3 (0.62) FLT3SRCTSHR
SCHEMBL19877238 0.83 FLT3 (0.68) FLT3SRC
SCHEMBL21103112 0.83 FLT3 (0.67) FLT3SRCNR4A2
SCHEMBL21051046 0.82 FLT3 (0.58) FLT3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 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-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B FLT3 2354/4885MAP4K4 2552/4885SRC 762/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B FLT3 2354/4885MAP4K4 2552/4885SRC 762/4885

“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.