SCHEMBL3530142

SCHEMBL3530142

NC(=NC(=O)c1nc(Cl)c(N)nc1N)NCCN(CCNC(N)=NC(=O)c1nc(Cl)c(N)nc1N)CCNC(N)=NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.58
SLC9A5 Q14940 6/20 0.58
CYP1A2 P05177 5/20 0.58
TSHR P16473 4/20 0.58
SLC9A1 P19634 4/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GLA P06280 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
CYP2D6 P10635 3/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.58
SCNN1A P37088 2/20 0.58
FTO Q9C0B1 2/20 0.58
CYP2C19 P33261 2/20 0.58
OPRM1 P35372 2/20 0.58
BLM P54132 2/20 0.58
SLC22A1 O15245 1/20 0.58
HTR1A P08908 1/20 0.58

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
SCHEMBL13165426 0.92 PLAU (0.56) PLAUSLC9A5CYP1A2TSHRSLC9A1
SCHEMBL3530139 0.89 SCNN1A (0.47) PLAUSLC9A5CYP1A2TSHRSLC9A1
Bromide SCHEMBL4693426 0.86 PLAU (0.61) PLAUSLC9A5CYP1A2TSHRSLC9A1
Bromide SCHEMBL4789645 0.85 PLAU (0.60) PLAUSLC9A5CYP1A2TSHRSLC9A1
SCHEMBL16093148 0.85 PLAU (0.60) PLAUSLC9A5CYP1A2TSHRSLC9A1
Hydrochloric Acid SCHEMBL4693836 0.85 KDM4E (0.62) PLAUSLC9A5CYP1A2TSHRSLC9A1
SCHEMBL3528728 0.84 PLAU (0.58) PLAUSLC9A5CYP1A2TSHRSLC9A1
SCHEMBL13165429 0.84 PLAU (0.58) PLAUSLC9A5CYP1A2TSHRSLC9A1
Bromide SCHEMBL4693746 0.83 PLAU (0.57) PLAUSLC9A5CYP1A2TSHRSLC9A1
SCHEMBL7527748 0.83 PLAU (0.57) PLAUSLC9A5CYP1A2TSHRSLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 PLAU 2908/4885SLC9A5 295/4885CYP1A2 277/4885

“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.