SCHEMBL9918864

SCHEMBL9918864

C#CCC(c1cccc(NC(=O)c2cccnc2)c1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
KCNK3 O14649 1/20 0.55
CSF1R P07333 1/20 0.54
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.51
HIF1A Q16665 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ACKR3 P25106 1/20 0.50
BRAF P15056 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9918229 0.89 HTT (0.58) HTTKCNK3CSF1RRAB9ASMN1; SMN2
SCHEMBL14983608 0.87 HTT (0.63) HTTKCNK3CSF1RRAB9ASMN1; SMN2
SCHEMBL6174621 0.81 RAB9A (0.73) HTTKCNK3CSF1RRAB9ASMN1; SMN2
SCHEMBL12302992 0.81 HTT (0.61) HTTKCNK3CSF1RRAB9ASMN1; SMN2
SCHEMBL19592429 0.81 HTT (0.55) HTTKCNK3CSF1RRAB9ASMN1; SMN2
SCHEMBL14986217 0.80 RAB9A (0.76) HTTKCNK3CSF1RRAB9ASMN1; SMN2
SCHEMBL9918872 0.79 CYP3A4 (0.50) RAB9ASMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL9918875 0.78 HPGD (0.53) HTTRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL9918868 0.76 CA2 (0.48) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL3442534 0.76 HTT (0.60) HTTKCNK3CSF1RRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (2 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HTT 3769/4885KCNK3 1016/4885CSF1R 429/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HTT 4142/4885KCNK3 926/4885CSF1R 410/4885

“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.