SCHEMBL21788620

SCHEMBL21788620

Nc1cccnc1N1CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.56
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
KMT2A Q03164 4/20 0.44
STAT3 P40763 1/20 0.44
NUDT1 P36639 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL10094212 0.80 ROCK1 (0.48) ROCK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5245431 0.79 ROCK1 (0.63) ROCK1KMT2ASTAT3NUDT1L3MBTL1
SCHEMBL10621398 0.79 ROCK1 (0.54) ROCK1KMT2ANUDT1L3MBTL1JAK2
SCHEMBL28506498 0.77 ROCK1 (0.54) ROCK1KMT2ANUDT1L3MBTL1JAK2
SCHEMBL2083080 0.77 ROCK1 (0.53) ROCK1KMT2ANUDT1L3MBTL1JAK2
SCHEMBL31098964 0.77 TUBB4A (0.68) ROCK1KMT2ASTAT3NUDT1L3MBTL1
SCHEMBL29508914 0.76 ALOX5AP (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22858424 0.76 ALOX5AP (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18012073 0.76 ROCK1 (0.64) ROCK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2051482 0.74 STAT3 (0.49) ROCK1KMT2ASTAT3NUDT1L3MBTL1

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-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 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 (2 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA ROCK1 3449/4885GRIN2D 3999/4885GRIN3B 2123/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA ROCK1 3449/4885GRIN2D 3999/4885GRIN3B 2123/4885

“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.