SCHEMBL19449698

SCHEMBL19449698

ClN=C(N/N=C/c1ccncc1)N/N=C/c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
ROCK2 O75116 2/20 0.48
GRK2 P25098 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTT P42858 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
MAPT P10636 3/20 0.47
RECQL P46063 1/20 0.47
SRC P12931 1/20 0.46

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
SCHEMBL19449709 0.81 CTH (0.57) CTHSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL13380947 0.81 CTH (0.57) CTHSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL16224322 0.79 MEN1 (0.61) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL17560849 0.79 CTH (0.56) CTHSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4100494 0.78 CTH (0.54) CTHSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4100496 0.78 CTH (0.54) CTHSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL9769014 0.76 KMT2A (0.63) CTHSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL9769012 0.76 KMT2A (0.63) CTHSMN1; SMN2MEN1KMT2AL3MBTL1
Water SCHEMBL9768838 0.74 KMT2A (0.61) CTHSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL433678 0.74 KDM4E (0.75) CTHCYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 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-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS CTH 1014/4885SMN1; SMN2 3002/4885MEN1 504/4885

“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.