SCHEMBL25823408

SCHEMBL25823408

CN1CCCN(c2ccc(N(C)c3nc4ccc(-c5cn[nH]c5)cc4n4ccnc34)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.38
NPM1 P06748 1/20 0.38
RPS6KA3 P51812 1/20 0.38
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
MAPKAPK5 Q8IW41 2/20 0.36
STK17A Q9UEE5 1/20 0.36
TNK2 Q07912 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
LRRK2 Q5S007 1/20 0.34
MAP4K1 Q92918 1/20 0.34
HRH4 Q9H3N8 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
SCHEMBL25822689 0.83 MAPKAPK5 (0.51) MAPKAPK5STK17AROCK2MAP4K1
SCHEMBL25822683 0.79 MAPKAPK5 (0.54) ALKRPS6KA3MAPKAPK5STK17ATNK2
SCHEMBL25822675 0.70 MAPKAPK5 (0.67) MAPKAPK5LRRK2
SCHEMBL25822739 0.70 MAPKAPK5 (0.49) MAPKAPK5STK17ALRRK2MAP4K1
SCHEMBL4392714 0.70 MAPKAPK5 (0.65) MAPKAPK5
SCHEMBL21848344 0.69 ROCK2 (0.44) ALKNPM1RPS6KA3MAPKAPK5STK17A
SCHEMBL25822687 0.69 SYK (0.54) MAPKAPK5
SCHEMBL25822692 0.69 MAPKAPK5 (0.51) MAPKAPK5
SCHEMBL25822696 0.68 MAPKAPK5 (0.56) MAPKAPK5
SCHEMBL25822684 0.68 SYK (0.57) MAPKAPK5

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-20230219960-A1 1H-PYRAZOLE DERIVATIVE AND APPLICATION THEREOF AS DUAL TARGET INHIBITOR OF SYK AND VEGFR2 OCUMENSION THERAPEUTICS (SUZHOU) CO., LTD. (CN) 2023-07-13 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-20230219960-A1 1H-PYRAZOLE DERIVATIVE AND APPLICATION THEREOF AS DUAL TARGET INHIBITOR OF SYK AND VEGFR2 SYK, KDR, FLT1 ALK 170/4885NPM1 3719/4885RPS6KA3 715/4885

“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.