SCHEMBL16603476

SCHEMBL16603476

CC(=N)N1CCN(c2ccc(-c3cccc(-c4ccc(N5CCN(C(=N)N)CC5)nc4)c3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.45
▸ WNT3A P56704 1/20 0.45
▸ MGLL Q99685 3/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ UBE2T Q9NPD8 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL15244891 0.94 CNR2 (0.50) CNR2WNT3AMGLLPTPN11UBE2T
SCHEMBL15244923 0.77 UBE2T (0.46) CNR2PTPN11UBE2TCNR1
SCHEMBL24721026 0.75 WNT3A (0.61) WNT3AMGLLAOC3CKS1BSKP1
SCHEMBL23601155 0.74 DPP4 (0.63) CNR2WNT3AMGLLAOC3CKS1B
SCHEMBL16603499 0.72 UBE2T (0.41) CNR2PTPN11UBE2TCNR1
SCHEMBL24721149 0.71 WNT3A (0.55) CNR2WNT3AMGLLAOC3CKS1B
SCHEMBL30881162 0.71 MET (0.55) AOC3FYNTNKSPRMT5WDR77
SCHEMBL15244966 0.70 KCNH2 (0.56) CNR2TLR8TLR7HDAC3HDAC2
SCHEMBL15244897 0.70 KCNH2 (0.56) CNR2TLR8TLR7HDAC3HDAC2
SCHEMBL31590101 0.70 FYN (0.53) CNR2WNT3AMGLLAOC3FYN

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-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-04-02 — — 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-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA PC, CPS1, GLS2 CNR2 2691/4885WNT3A 4871/4885MGLL 2343/4885

“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.

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