SCHEMBL3398516

SCHEMBL3398516

O=C(Nc1cnc(Nc2ccccc2)s1)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
P4HTM Q9NXG6 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
MAPK13 O15264 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
MAPK14 Q16539 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL3394645 0.90 RAB9A (0.54) RAB9ANPC1MEN1KMT2AP4HTM
SCHEMBL3392274 0.77 MEN1 (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3391621 0.76 MAPK14 (0.55) RAB9ANPC1MEN1KMT2AMAPK13
SCHEMBL3393541 0.75 CACNA1B (0.56) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL17115776 0.74 NPC1 (1.00) RAB9ANPC1MEN1KMT2AP4HTM
SCHEMBL14825062 0.74 NPC1 (1.00) RAB9ANPC1MEN1KMT2AP4HTM
SCHEMBL2366210 0.74 MAPT (0.79) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL3394933 0.74 CSNK2A2 (0.60) RAB9ANPC1MEN1KMT2AMAPK13
SCHEMBL3390828 0.74 MEN1 (0.56) RAB9ANPC1MEN1KMT2AMAPK13
SCHEMBL4363732 0.74 MEN1 (0.89) RAB9ANPC1MEN1KMT2AP4HTM

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-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 RAB9A 1982/4885NPC1 2281/4885MEN1 3798/4885

“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.