SCHEMBL21522497

SCHEMBL21522497

CC(c1ccccc1)c1nc(N)c(C(C)c2ccccc2)c(N)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TAAR1 Q96RJ0 3/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NUDT1 P36639 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
VKORC1 Q9BQB6 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL28170660 0.86 KMT2A (0.44) KMT2ANUDT1TLR8
SCHEMBL28170602 0.78 KMT2A (0.44) KMT2AHTR2CHTR2BTAAR1ADRA2A
SCHEMBL13269009 0.73 PDPK1 (0.49) LMNAHIF1ANUDT1ALDH1A1ADORA2A
SCHEMBL13268764 0.73 HTR2C (0.37) KMT2AHTR2CHTR2BLMNAKDM4E
SCHEMBL13268765 0.73 PDPK1 (0.49) LMNAHIF1ANUDT1ALDH1A1ADORA2A
SCHEMBL13269007 0.73 HTR2C (0.37) KMT2AHTR2CHTR2BLMNAKDM4E
SCHEMBL27966111 0.73 KMT2A (0.40) KMT2AHTR2CHTR2BTAAR1NUDT1
SCHEMBL10353058 0.72 HTR2C (0.40) KMT2AHTR2CHTR2BTAAR1LMNA
SCHEMBL2033897 0.70 KMT2A (0.41) KMT2AHTR2CHTR2BTAAR1ADRA2A
SCHEMBL11010898 0.70 GAA (0.43) KMT2AHTR2CHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3960729-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS Neoculi Pty Ltd (AU) 2022-03-02 EP claimed
US-10562880-B2 Methods for treating protozoan infections NEOCULI PTY LTD. (AU) 2020-02-18 US claimed
US-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2019-10-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS KMT2A 2912/4885HTR2C 3345/4885HTR2B 4278/4885
US-10562880-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS KMT2A 2912/4885HTR2C 3345/4885HTR2B 4278/4885

“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.