SCHEMBL7872687

SCHEMBL7872687

Nc1cccc(C(=O)c2c[nH]c3ncc(-c4cccc(CCC(=O)O)c4)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
NTRK1 P04629 5/20 0.48
AXL P30530 5/20 0.48
DYRK1A Q13627 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
MAPK13 O15264 1/20 0.48
PDPK1 O15530 1/20 0.48
DYRK3 O43781 1/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
PRKD3 O94806 1/20 0.48
PAK4 O96013 1/20 0.48
CHEK2 O96017 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
INSR P06213 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL858632 0.84 NTRK1 (0.64) AAK1NTRK1AXLDYRK1ACDC7
SCHEMBL856998 0.81 KIT (0.57) AAK1NTRK1AXLDYRK1ACDC7
SCHEMBL3699186 0.80 NTRK1 (0.64) AAK1NTRK1AXLDYRK1ACDC7
SCHEMBL298714 0.80 PAK1 (0.43) AAK1NTRK1AXLDYRK1ACDC7
SCHEMBL296762 0.80 PAK1 (0.42) AAK1NTRK1AXLDYRK1ACDC7
SCHEMBL3698939 0.80 PIK3CA (0.49) AAK1NTRK1DYRK1AKITPIK3CA
SCHEMBL27101328 0.79 AAK1 (0.53) AAK1NTRK1AXLDYRK1ACDC7
SCHEMBL27101324 0.79 KIT (0.59) AAK1NTRK1AXLDYRK1ACDC7
SCHEMBL416155 0.79 AAK1 (0.53) AAK1NTRK1AXLDYRK1ACDC7
SCHEMBL299272 0.79 CAMKK2 (0.61) AAK1NTRK1AXLDYRK1ACDC7

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 3 patents. 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
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO 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 247/4885NTRK1 1554/4885AXL 470/4885

“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.