SCHEMBL25823381

SCHEMBL25823381

CN1CCN(c2ccc(Nc3nc4ccc(C#N)cc4n4ccnc34)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.50
TNIK Q9UKE5 1/20 0.48
NSD2 O96028 1/20 0.46
EGFR P00533 3/20 0.44
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
IKBKB O14920 1/20 0.42
FLT3 P36888 1/20 0.41
CHEK1 O14757 1/20 0.41
EIF2AK2 P19525 1/20 0.40
FYN P06241 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL25822735 0.85 MAPKAPK5 (0.52) MAPKAPK5EGFRHTR3EHTR3BHTR3A
SCHEMBL25822740 0.82 MAPKAPK5 (0.51) MAPKAPK5EGFRHTR3EHTR3BHTR3A
SCHEMBL2467925 0.81 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25822683 0.79 MAPKAPK5 (0.54) MAPKAPK5EGFRFLT3CHEK1FYN
SCHEMBL25822739 0.78 MAPKAPK5 (0.49) MAPKAPK5EGFRMAPKAPK2
SCHEMBL25822689 0.77 MAPKAPK5 (0.51) MAPKAPK5EGFRFLT3MAPKAPK2
SCHEMBL25823409 0.76 MAPKAPK5 (0.43) MAPKAPK5EGFRHTR3EHTR3BHTR3A
SCHEMBL25822712 0.75 MAPT (0.58) MAPKAPK5FLT3FYN
SCHEMBL25822743 0.74 SYK (0.48) MAPKAPK5EGFRIKBKBFYN
SCHEMBL25823182 0.73 SYK (0.49) MAPKAPK5FLT3FYN

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 MAPKAPK5 216/4885TNIK 291/4885NSD2 3497/4885

“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.