SCHEMBL17309059

SCHEMBL17309059

N#Cc1ccc(N(CC2CCOCC2)C(=O)c2ccn3ncc(-c4ccc(CF)cc4)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.36
EGLN1 Q9GZT9 4/20 0.36
MAPKAPK2 P49137 7/20 0.34
TTK P33981 1/20 0.33
KDM1A O60341 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL15764705 0.92 NSD2 (0.40) NSD2EGLN1TTKKDM1A
SCHEMBL15717759 0.90 KDM1A (0.38) NSD2EGLN1TTKKDM1A
SCHEMBL17309064 0.88 KCNH2 (0.44) CNR1CNR2
SCHEMBL15717195 0.82 NSD2 (0.41) NSD2EGLN1TTKKDM1A
SCHEMBL17309052 0.82 PIK3CD (0.37) EGLN1EGLN2LTB4R2
SCHEMBL17309063 0.81 OXTR (0.39) EGLN1MAPKAPK2KDM1AEGLN2LTB4R2
SCHEMBL15717984 0.78 KCNH2 (0.44)
SCHEMBL15717794 0.74 RET (0.40) NSD2KDM1AEGLN2
SCHEMBL17309068 0.73 CACNA1H (0.33) NSD2EGLN1
SCHEMBL15718117 0.72 KDM1A (0.40) EGLN1KDM1AEGLN2CNR1

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-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 NSD2 4247/4885EGLN1 2927/4885MAPKAPK2 3414/4885

“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.