SCHEMBL4744572

SCHEMBL4744572

COc1ccc(-c2nc(NN)c(C#N)c(SC)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 5/20 0.55
NPSR1 Q6W5P4 4/20 0.55
RXFP1 Q9HBX9 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 3/20 0.55
ADORA1 P30542 4/20 0.46
PTPN1 P18031 2/20 0.44
GAA P10253 2/20 0.44
PIM1 P11309 1/20 0.43
ADORA2A P29274 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL8384543 0.84 NPSR1 (0.53) MAPTALDH1A1NPSR1RXFP1KDM4E
SCHEMBL4747831 0.81 NPSR1 (0.51) MAPTALDH1A1NPSR1RXFP1KDM4E
SCHEMBL4787361 0.80 ALDH1A1 (0.47) MAPTALDH1A1NPSR1RXFP1KDM4E
SCHEMBL4786404 0.79 ALDH1A1 (0.47) MAPTALDH1A1NPSR1RXFP1KDM4E
SCHEMBL4748211 0.78 NPSR1 (0.41) MAPTALDH1A1NPSR1RXFP1KDM4E
SCHEMBL7900197 0.78 SYK (0.40) MAPTALDH1A1NPSR1RXFP1KDM4E
SCHEMBL8379706 0.77 JUN (0.52) MAPTALDH1A1NPSR1RXFP1KDM4E
SCHEMBL8383001 0.76 NPSR1 (0.44) MAPTALDH1A1NPSR1RXFP1KDM4E
SCHEMBL14069780 0.75 ALDH1A1 (0.42) MAPTALDH1A1NPSR1RXFP1KDM4E
SCHEMBL6441875 0.73 ADORA1 (0.76) MAPTALDH1A1NPSR1RXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO claimed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US claimed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S MAPT 699/4885ALDH1A1 825/4885NPSR1 992/4885

“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.