SCHEMBL4787157

SCHEMBL4787157

CSc1nc(-c2ccccc2)nc(NN2C(=O)C(C)=C(C)C2=O)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 5/20 0.41
RXFP1 Q9HBX9 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL8383262 0.93 NPSR1 (0.43) ALDH1A1NPSR1KMT2AMEN1L3MBTL1
SCHEMBL14070104 0.91 NPSR1 (0.45) ALDH1A1NPSR1KMT2AMEN1L3MBTL1
SCHEMBL4786582 0.90 NPSR1 (0.46) ALDH1A1NPSR1KMT2AMEN1L3MBTL1
SCHEMBL4787361 0.87 ALDH1A1 (0.47) ALDH1A1NPSR1KMT2AMEN1L3MBTL1
SCHEMBL4785941 0.87 FLT3 (0.48) ALDH1A1NPSR1KMT2AMEN1TSHR
SCHEMBL7899604 0.80 LMNA (0.41) KMT2AMEN1TSHRPDE4BPDE4D
SCHEMBL4996018 0.78 NPSR1 (0.53) NPSR1
SCHEMBL8384543 0.78 NPSR1 (0.53) ALDH1A1NPSR1KMT2AMEN1L3MBTL1
SCHEMBL4786404 0.78 ALDH1A1 (0.47) ALDH1A1NPSR1KMT2AMEN1L3MBTL1
SCHEMBL4788415 0.78 FLT3 (0.48) NPSR1

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
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
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 ALDH1A1 825/4885NPSR1 992/4885KMT2A 4045/4885

“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.