SCHEMBL9918876

SCHEMBL9918876

C#CCC(c1cncc(-c2ccccc2)c1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSK P43235 1/20 0.44
FDPS P14324 2/20 0.36
F11 P03951 1/20 0.35
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GRM5 P41594 1/20 0.33
CHRNA7 P36544 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9918233 0.86 CTSK (0.53) CTSLCTSKFDPSCYP11B1CYP11B2
SCHEMBL9918232 0.85 CTSK (0.32) CTSLCTSKCYP11B1CYP11B2
SCHEMBL14983610 0.82 CTSL (0.45) CTSLCTSKFDPSF11CYP11B1
SCHEMBL14790980 0.80 SLC6A4 (0.33) CYP11B1CYP11B2TAAR1
SCHEMBL9918231 0.79 MKNK1 (0.40) CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL9918873 0.76 CYP2A6 (0.33) GRM5
SCHEMBL14790978 0.76 PYCR1 (0.31) MAPT
SCHEMBL12251278 0.75 CTSL (0.46) CTSLCTSKCYP11B1CYP11B2MKNK1
SCHEMBL8253877 0.74 CTSL (0.48) CTSLCTSKFDPSCYP11B1CYP11B2
SCHEMBL171766 0.74 CTSK (0.55) CTSLCTSKFDPSCYP11B1CYP11B2

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 CTSL 4656/4885CTSK 2870/4885FDPS 491/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CTSL 4699/4885CTSK 2774/4885FDPS 454/4885

“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.