SCHEMBL3787803

SCHEMBL3787803

Nc1ncnc2c1c(Nc1ccccc1)nn2C1CCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.62
KDR P35968 11/20 0.54
SRC P12931 10/20 0.54
LCK P06239 2/20 0.54
TEK Q02763 1/20 0.54
LYN P07948 1/20 0.54
BTK Q06187 1/20 0.54
PIK3CD O00329 8/20 0.52
PIK3CA P42336 8/20 0.52
PIK3CB P42338 8/20 0.52
PIK3CG P48736 8/20 0.52
PRKDC P78527 8/20 0.52
ERBB2 P04626 1/20 0.50
ABL1 P00519 9/20 0.49
EGFR P00533 9/20 0.49
HCK P08631 7/20 0.49
MTOR P42345 7/20 0.49
EPHB4 P54760 7/20 0.49
ABL2 P42684 2/20 0.49
PI4KB Q9UBF8 3/20 0.47

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
SCHEMBL14575510 0.98 RET (0.66) RETKDRSRCLCKTEK
SCHEMBL10068589 0.84 RET (0.68) RETKDRSRCPIK3CDPIK3CA
SCHEMBL863887 0.84 RET (0.52) RETKDRSRCLCKLYN
SCHEMBL864634 0.84 SRC (0.53) RETKDRSRCLCKBTK
SCHEMBL864876 0.82 SRC (0.54) RETKDRSRCLCKLYN
SCHEMBL19335163 0.79 BTK (0.77) KDRSRCLCKLYNBTK
SCHEMBL19763807 0.77 RET (1.00) RET
SCHEMBL19335162 0.76 BTK (0.80) RETKDRSRCLCKLYN
SCHEMBL22364036 0.75 BTK (0.79) RETKDRSRCLCKLYN
SCHEMBL19335138 0.75 BTK (0.79) RETKDRSRCLCKLYN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B RET 3063/4885KDR 4598/4885SRC 1332/4885

“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.