SCHEMBL354152

SCHEMBL354152

Cc1nc(-n2cncn2)ccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.45
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SYK P43405 2/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
STING1 Q86WV6 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1823085 0.87 GABRP (0.46) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL1822851 0.85 KDM4E (0.40) KDM4EPOLBMAPTHTTHSP90AA1
Hydrochloric Acid SCHEMBL1822852 0.85 GABRP (0.45) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL1823627 0.78 KDM4E (0.38) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL15373686 0.78 KDM4E (0.38) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL1824742 0.77 KDM4E (0.37) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL1826201 0.77 KDM4E (0.35) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL1056459 0.76 KDM4E (0.39) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL10120651 0.76 KDM4E (0.40) KDM4EPOLBMAPTHTTSMN1; SMN2
SCHEMBL1822912 0.76 KDM4E (0.36) KDM4EPOLBSYKMAPTHTT

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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA NNMT 851/4885KDM4E 1862/4885POLB 1884/4885

“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.