SCHEMBL9918792

SCHEMBL9918792

CC(=O)c1cc(F)[nH]c1N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 2/20 0.31
KEAP1 Q14145 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL9918796 0.81 DGAT1 (0.38) BRD4MEN1KMT2A
SCHEMBL1504430 0.69 CYP1A2 (0.47) TSHRPOLBGAACYP1A2HPGD
SCHEMBL1721699 0.65 TSHR (0.40) BRD4SMN1; SMN2TSHRPOLBGAA
SCHEMBL31726717 0.65 TSHR (0.40) BRD4SMN1; SMN2TSHRPOLBGAA
SCHEMBL6561685 0.64 TSHR (0.46) SMN1; SMN2TSHRHTTKEAP1CYP3A4
SCHEMBL26053946 0.64 BRD4 (0.44) BRD4SMN1; SMN2TSHRPOLBHTT
SCHEMBL19282563 0.64 GABRP (0.38) BRD4SMN1; SMN2TSHRPOLBCYP1A2
SCHEMBL13862133 0.64 BRD4 (0.38) BRD4SMN1; SMN2TSHRKEAP1
SCHEMBL8282300 0.64 TSHR (0.39) BRD4SMN1; SMN2TSHRKEAP1
SCHEMBL3183654 0.64 HDAC1 (0.39) SMN1; SMN2TSHRHTTCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 BRD4 402/4885SMN1; SMN2 4199/4885TSHR 2606/4885

“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.