SCHEMBL7125314

SCHEMBL7125314

Cn1cnc2c(C#N)c3n(c2c1=S)CCCCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.57
ABCC1 P33527 6/20 0.55
ABCG2 Q9UNQ0 4/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
GFER P55789 1/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 2/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL7115695 0.85 RXFP1 (0.64) RXFP1ABCC1ABCG2HDAC6ALDH1A1
SCHEMBL7119641 0.76 HTT (0.71) RXFP1ABCC1ABCG2HDAC6ALDH1A1
SCHEMBL7115705 0.76 HTT (0.71) RXFP1ABCC1ABCG2HDAC6ALDH1A1
SCHEMBL7128300 0.74 HTT (0.73) RXFP1ABCC1ABCG2HDAC6ALDH1A1
SCHEMBL18292476 0.73 RXFP1 (1.00) RXFP1ABCC1ABCG2ALDH1A1TSHR
SCHEMBL6922257 0.73 RXFP1 (0.72) RXFP1ABCC1ABCG2ALDH1A1TSHR
SCHEMBL859357 0.71 RXFP1 (0.70) RXFP1ABCC1ABCG2ALDH1A1TSHR
SCHEMBL6920444 0.71 HTT (0.97) RXFP1ABCC1ABCG2HDAC6ALDH1A1
SCHEMBL7118898 0.71 HTT (0.97) RXFP1ABCC1ABCG2HDAC6ALDH1A1
SCHEMBL6917425 0.71 ABCC1 (1.00) RXFP1ABCC1ABCG2

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-20030096813-A1 Compositions useful as inhibitors of GSK-3 CAO JINGRONG (US) 2003-05-22 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-20030096813-A1 Compositions useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP RXFP1 354/4885ABCC1 1351/4885ABCG2 2944/4885

“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.