SCHEMBL4786582

SCHEMBL4786582

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 9/20 0.42
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 6/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
RXFP1 Q9HBX9 3/20 0.38
PPARG P37231 1/20 0.38

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 0.94 NPSR1 (0.43) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL4787157 0.90 ALDH1A1 (0.45) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL14070104 0.90 NPSR1 (0.45) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL4786404 0.87 ALDH1A1 (0.47) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL4785941 0.84 FLT3 (0.48) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL4786431 0.78 NPSR1 (0.53) NPSR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4787361 0.78 ALDH1A1 (0.47) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL8384543 0.77 NPSR1 (0.53) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL4996018 0.75 NPSR1 (0.53) NPSR1
SCHEMBL8382994 0.75 NPSR1 (0.59) NPSR1KMT2AMEN1ALDH1A1POLB

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 4 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

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 NPSR1 992/4885KMT2A 4045/4885MEN1 1470/4885

“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.