SCHEMBL3454018

SCHEMBL3454018

CC(C)c1ccc(-c2ccnc(C(N)=O)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 14/20 0.51
MAP4K4 O95819 1/20 0.48
KIF11 P52732 1/20 0.43
DHODH Q02127 1/20 0.41
MAP3K14 Q99558 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PRNP P04156 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL31301500 0.86 KMO (0.69) KMO
SCHEMBL28048792 0.83 MEN1 (0.53) KMOMAP4K4KDM4EMEN1PRNP
SCHEMBL3183738 0.79 MAPK8 (0.55) KMOMAP4K4KDM4EMEN1KMT2A
SCHEMBL3721991 0.76 KMO (0.53) KMOMAP4K4KIF11KMT2A
SCHEMBL1758345 0.76 MAP4K4 (0.54) KMOMAP4K4KIF11DHODH
SCHEMBL3454021 0.76 KMO (0.60) KMOKDM4E
SCHEMBL3133736 0.75 MAPT (0.52) KMOMEN1POLBKMT2A
SCHEMBL4900044 0.75 MAP4K4 (0.54) KMOMAP4K4KDM4EMEN1PRNP
SCHEMBL31301337 0.75 KMO (0.54) KMOMAP4K4MEN1KMT2A
SCHEMBL4892007 0.75 MAP4K4 (0.54) KMOMAP4K4DHODHKDM4EMEN1

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R KMO 141/4885MAP4K4 2820/4885KIF11 4475/4885

“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.