SCHEMBL17560901

SCHEMBL17560901

CC(c1ccc(Cl)cc1)N1C=C(N)N(C(C)c2ccc(Cl)cc2)C=C1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
HSD11B1 P28845 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 2/20 0.35
HIF1A Q16665 2/20 0.35
SLC6A2 P23975 3/20 0.35
CYP19A1 P11511 3/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
BCL2 P10415 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 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
SCHEMBL16175852 0.73 ADRB2 (0.41) ADRB2HSD11B1IDO1TDO2SLC6A4
SCHEMBL16175847 0.69 ALDH1A1 (0.42) ADRB2TDP1MAPK1CYP19A1LMNA
SCHEMBL197810 0.67 ADRB2 (0.65) ADRB2IDO1TDO2SLC6A3TSHR
SCHEMBL13563401 0.67 MC4R (0.67) SLC6A4SLC6A3TSHRTDP1SLC6A2
SCHEMBL177057 0.66 ADRB2 (1.00) ADRB2IDO1TDO2SLC6A4SLC6A3
SCHEMBL138590 0.66 ADRB2 (1.00) ADRB2IDO1TDO2SLC6A4SLC6A3
Methylamine SCHEMBL6499701 0.66 ADRB2 (0.64) ADRB2IDO1TDO2SLC6A4SLC6A3
SCHEMBL140922 0.66 ADRB2 (1.00) ADRB2IDO1TDO2SLC6A4SLC6A3
SCHEMBL16166372 0.66 ADRB2 (0.41) ADRB2IDO1TDO2MAPK1CYP19A1
SCHEMBL255342 0.65 CYP2D6 (0.68) HSD11B1SLC6A4SLC6A2CYP19A1CYP2D6

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
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 US claimed
EP-3188722-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS Neoculi Pty Ltd (AU) 2017-07-12 EP claimed
WO-2016033635-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2016-03-10 WO 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 (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 ADRB2 3311/4885HSD11B1 1305/4885IDO1 207/4885

“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.