SCHEMBL9918828

SCHEMBL9918828

C#CCC(c1ccccc1OCC#N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.32
SGMS2 Q8NHU3 7/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAOB P27338 2/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
FFAR1 O14842 1/20 0.31
GAA P10253 1/20 0.30
P2RX3 P56373 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL171764 0.90 SGMS2 (0.34) BRPF1SGMS2ALDH1A1LMNACYP1A2
SCHEMBL9918833 0.82 TRPV4 (0.34)
SCHEMBL9918824 0.82 HPGD (0.39) ALDH1A1MAPTMEN1KMT2A
SCHEMBL9918378 0.78 KMT2A (0.45) BRPF1SGMS2ALDH1A1LMNACYP1A2
SCHEMBL9921700 0.77 KDM4E (0.37) BRPF1SGMS2ALDH1A1LMNACYP1A2
SCHEMBL12251250 0.74 SGMS2 (0.32) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL9918829 0.74 MAOA (0.33) ALDH1A1KDM4EMAOBGAAMEN1
SCHEMBL9918860 0.73 KDM4E (0.34) ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL9918862 0.73 MAOB (0.35) ALDH1A1MAPTKDM4EMAOBGAA
SCHEMBL18599448 0.72 SGMS2 (0.34) BRPF1SGMS2ALDH1A1LMNACYP1A2

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 BRPF1 2648/4885SGMS2 3129/4885ALDH1A1 1654/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 BRPF1 2701/4885SGMS2 2787/4885ALDH1A1 1507/4885

“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.