SCHEMBL7874293

SCHEMBL7874293

CN1CCN(Cc2cnc3[nH]ccc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 6/20 0.61
IKBKB O14920 2/20 0.61
CHUK O15111 2/20 0.61
ABL1 P00519 2/20 0.61
INSR P06213 2/20 0.61
CDK2 P24941 2/20 0.61
FLT3 P36888 2/20 0.61
TNIK Q9UKE5 7/20 0.51
SGK1 O00141 1/20 0.51
AURKA O14965 1/20 0.51
PRKAB2 O43741 1/20 0.51
ROCK2 O75116 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51
CDK1 P06493 1/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
CYP3A4 P08684 1/20 0.51
SRC P12931 1/20 0.51
FLT1 P17948 1/20 0.51

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
SCHEMBL298617 0.96 MAP3K11 (0.58) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL7874310 0.87 FGFR1 (0.49) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL15154791 0.86 MAP3K11 (0.80) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL299467 0.83 CD274 (0.51) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL12965684 0.83 INSR (0.64) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL29178532 0.81 FGFR1 (0.50) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL31023220 0.78 CHEK1 (0.46) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL4786065 0.77 LTA4H (0.51) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL31023203 0.77 FAAH (0.45) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL12067524 0.77 MAP3K11 (1.00) MAP3K11IKBKBCHUKABL1INSR

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 MAP3K11 37/4885IKBKB 475/4885CHUK 59/4885

“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.