SCHEMBL4570632

SCHEMBL4570632

CSNc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(C)c4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.52
RIPK1 Q13546 2/20 0.51
ITK Q08881 8/20 0.48
BTK Q06187 7/20 0.48
AXL P30530 3/20 0.47
BRD4 O60885 1/20 0.46
NEK1 Q96PY6 1/20 0.45
NTRK1 P04629 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAP4K1 Q92918 1/20 0.45
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
MAPK13 O15264 1/20 0.44
PDPK1 O15530 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL7872452 0.89 AAK1 (0.51) AAK1RIPK1ITKBTKAXL
SCHEMBL4570630 0.86 BTK (0.48) AAK1RIPK1ITKBTKAXL
SCHEMBL4570626 0.81 CAMKK2 (0.61) AAK1RIPK1ITKAXLBRD4
SCHEMBL7879449 0.79 RIPK1 (0.47) AAK1RIPK1ITKBTKAXL
SCHEMBL4570621 0.78 PAK1 (0.57) AAK1BRD4PAK4
SCHEMBL411513 0.77 RIPK1 (0.59) AAK1RIPK1ITKBTKBRD4
SCHEMBL10292989 0.77 NTRK1 (0.60) AAK1RIPK1ITKBTKNTRK1
SCHEMBL4570622 0.77 BRAF (0.49) AAK1RIPK1AXLBRD4CYP3A4
SCHEMBL4570635 0.77 AAK1 (0.47) AAK1AXLBRD4CYP3A4CDK2
SCHEMBL4570634 0.77 AAK1 (0.47) AAK1ITKAXLBRD4PLK4

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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF AAK1 247/4885RIPK1 637/4885ITK 422/4885

“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.