SCHEMBL9921964

SCHEMBL9921964

CC(CCC#N)CCC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.36
METAP1 P53582 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
BRCA1 P38398 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSK P43235 8/20 0.36
CTSL P07711 5/20 0.33
CTSB P07858 5/20 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
SCHEMBL2347849 0.83 CYP1A2 (0.38) CYP1A2METAP1KDM4EMEN1USP2
SCHEMBL9918279 0.82 TSHR (0.35) TSHRCYP1A2METAP1KDM4EMEN1
SCHEMBL6564282 0.81 CYP1A2 (0.34) TSHRCYP1A2METAP1KDM4EMEN1
SCHEMBL9918270 0.80 TSHR (0.36) TSHRCYP1A2METAP1CTSKCTSL
SCHEMBL9918267 0.76 TSHR (0.36) TSHR
SCHEMBL3915320 0.76 CYP1A2 (0.50) TSHRCYP1A2METAP1KDM4EMEN1
SCHEMBL1044132 0.75 CYP1A2 (0.42) CYP1A2METAP1KDM4EMEN1USP2
SCHEMBL8099140 0.75 CYP1A2 (0.42) CYP1A2METAP1KDM4EMEN1USP2
SCHEMBL31323884 0.75 CYP1A2 (0.42) CYP1A2METAP1KDM4EMEN1USP2
SCHEMBL28058465 0.75 METAP1 (0.43) CYP1A2METAP1MAPTHPGDSIGMAR1

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-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 (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 TSHR 2606/4885CYP1A2 1299/4885METAP1 3469/4885

“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.