SCHEMBL14927019

SCHEMBL14927019

Cc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CN=C(N)N)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.34
▸ GRIN2D O15399 3/20 0.33
▸ GRIN3B O60391 3/20 0.33
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2A Q12879 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ GRIN2C Q14957 3/20 0.33
▸ GRIN3A Q8TCU5 3/20 0.33
▸ CTSA P10619 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL14927018 0.98 KIF11 (0.39) CTSSCTSKKIF11HRH4GRIN2D
SCHEMBL14927071 0.92 CTSS (0.37) CTSSCTSKKIF11CTSATMEM97
SCHEMBL14927016 0.90 ASIC1 (0.42) KIF11HRH4GRIN2DGRIN3BGRIN1
SCHEMBL12070704 0.86 KDM4E (0.49) CTSSCTSKKIF11KDM4EALDH1A1
SCHEMBL14927020 0.85 GRIN2D (0.41) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12070692 0.84 KDM4E (0.47) CTSSCTSKKIF11KDM4EALDH1A1
SCHEMBL14927111 0.83 CTSK (0.42) CTSSCTSKKIF11CTSATMEM97
SCHEMBL14927103 0.81 KIF11 (0.40) CTSSCTSKKIF11GRIN1GRIN2B
SCHEMBL14927119 0.81 CTSS (0.42) CTSSCTSKKIF11GRIN1GRIN2B
SCHEMBL14927113 0.81 MAPKAPK2 (0.35) CTSSCTSKCTSARXRARXRB

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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 CTSS 1995/4885CTSK 2530/4885KIF11 4094/4885

“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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