SCHEMBL3394645

SCHEMBL3394645

Cc1ccc(Nc2ncc(NC(=O)c3ccccc3F)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.54
NPC1 O15118 8/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
TP53 P04637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
P4HTM Q9NXG6 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
AURKA O14965 1/20 0.45

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
SCHEMBL3398516 0.90 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3392274 0.87 MEN1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL3391621 0.86 MAPK14 (0.55) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL3397250 0.78 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL13581604 0.77 MEN1 (0.83) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL2367237 0.76 MAPT (0.77) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL3398555 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL3394845 0.75 MEN1 (0.57) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL3392231 0.74 MEN1 (0.55) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL3390828 0.73 MEN1 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 2281/4885SMN1; SMN2 2662/4885

“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.