SCHEMBL17138377

SCHEMBL17138377

N#Cc1cc(C(F)F)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
HDAC6 Q9UBN7 2/20 0.36
XDH P47989 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
NPY5R Q15761 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
IDH1 O75874 1/20 0.33
CHEK1 O14757 1/20 0.33
HDAC4 P56524 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL84498 0.84 MYC (0.39) MYCXDHABCG2NPY5RAAK1
SCHEMBL18600065 0.83 MYC (0.34) MYCHDAC6XDHABCG2NPY5R
SCHEMBL24780050 0.81 MYC (0.41) MYCHDAC6XDHABCG2NPY5R
SCHEMBL26916924 0.81 MYC (0.41) MYCXDHABCG2NPY5RAAK1
SCHEMBL28803092 0.81 MYC (0.41) MYCXDHABCG2NPY5RAAK1
SCHEMBL26916928 0.81 MYC (0.41) MYCXDHABCG2NPY5RAAK1
SCHEMBL17000215 0.81 MYC (0.37) MYCXDHABCG2NPY5RAAK1
SCHEMBL2332728 0.80 IDH1 (0.39) MYCHDAC6XDHABCG2NPY5R
SCHEMBL18602512 0.80 MYC (0.35) MYCHDAC6XDHABCG2NPY5R
SCHEMBL28192132 0.80 MYC (0.39) MYCHDAC6XDHABCG2NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE CATYLIX INC (US) 2015-10-08 US 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 (1 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-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE PFAS, AFF2, AFF4 MYC 1600/4885HDAC6 3240/4885XDH 1109/4885

“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.