SCHEMBL19700804

SCHEMBL19700804

Cn1ncc2c(NCCc3ccc(Cl)cc3Cl)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.61
KDM4E B2RXH2 5/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL19700824 0.83 TP53 (0.77) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19700820 0.77 HTT (0.59) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19700819 0.76 HTT (0.76) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19700803 0.76 TP53 (1.00) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19700822 0.76 TP53 (0.53) TP53KDM4ELMNAMAPTHTT
SCHEMBL8482469 0.75 HTT (0.68) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL19700826 0.74 TP53 (0.59) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19700821 0.74 TP53 (0.77) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9921326 0.74 HTT (0.44) TP53ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL19700805 0.73 KDM4E (0.70) TP53KDM4EALDH1A1HPGDSMN1; SMN2

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-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS NORTHERN ILLINOIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS NORTHERN ILLINOIS RESEARCH FOUNDATION 2017-12-14 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-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS DHPS, FDPS, IMPDH1 TP53 4401/4885KDM4E 1149/4885TDP1 2415/4885

“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.