SCHEMBL19784943

SCHEMBL19784943

CCCCn1nnc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 5/20 0.77
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
PKM P14618 3/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
HTT P42858 3/20 0.49
MAPT P10636 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
EIF2AK2 P19525 1/20 0.47
KDR P35968 1/20 0.47
NTRK1 P04629 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL17978456 0.88 DDX3X (0.75) DDX3XRAB9ANPC1HTTMAPT
SCHEMBL17978453 0.87 DDX3X (1.00) DDX3XRAB9ANPC1MAPTKDM4E
SCHEMBL19784939 0.87 DDX3X (0.65) DDX3XRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL19784959 0.83 DDX3X (0.93) DDX3XRAB9ANPC1MAPTKDM4E
SCHEMBL17978487 0.80 DDX3X (0.63) DDX3XRAB9ANPC1SMN1; SMN2HTT
SCHEMBL17978442 0.73 DDX3X (0.55) DDX3XRAB9ANPC1SMN1; SMN2HTT
SCHEMBL19538024 0.73 POLB (0.55) SMN1; SMN2HTTMAPTKDM4EPOLB
SCHEMBL18023708 0.72 DDX3X (1.00) DDX3X
SCHEMBL4403796 0.69 RAB9A (0.56) RAB9A
SCHEMBL7894229 0.69 RAB9A (0.76) RAB9ANPC1SMN1; SMN2PKMCDK5

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-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2018-01-18 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-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS DDX3X, DDX39B, DDX1 DDX3X 1/4885RAB9A 2052/4885NPC1 1877/4885

“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.