SCHEMBL3397250

SCHEMBL3397250

Cc1ccc(Nc2ncc(NC(=O)c3cccs3)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.61
NPC1 O15118 9/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
ABL1 P00519 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.51

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
SCHEMBL7530819 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3392274 0.79 MEN1 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3394645 0.78 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3391621 0.78 MAPK14 (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12495837 0.77 NPC1 (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3398555 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2367156 0.76 TNIK (0.67) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3394845 0.76 MEN1 (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3392231 0.74 MEN1 (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL19191686 0.74 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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.