SCHEMBL13020099

SCHEMBL13020099

CN(c1ccccc1)c1nn(C2CCC2)c2ncnc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.52
▸ LCK P06239 1/20 0.52
▸ LYN P07948 1/20 0.52
▸ KDR P35968 12/20 0.50
▸ EGFR P00533 12/20 0.50
▸ PIK3CD O00329 11/20 0.50
▸ PIK3CA P42336 11/20 0.50
▸ PIK3CB P42338 11/20 0.50
▸ PIK3CG P48736 11/20 0.50
▸ PRKDC P78527 11/20 0.50
▸ ABL1 P00519 11/20 0.50
▸ SRC P12931 11/20 0.50
▸ HCK P08631 10/20 0.50
▸ MTOR P42345 10/20 0.50
▸ EPHB4 P54760 10/20 0.50
▸ PI4KB Q9UBF8 5/20 0.48
▸ RET P07949 4/20 0.48
▸ ABL2 P42684 1/20 0.47
▸ NUDT14 O95848 1/20 0.46
▸ NUDT5 Q9UKK9 1/20 0.46

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
SCHEMBL19335163 0.77 BTK (0.77) BTKLCKLYNKDREGFR
SCHEMBL3785235 0.76 PIK3CD (0.51) KDREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL13063879 0.76 SRC (0.61) BTKLCKLYNKDREGFR
SCHEMBL19335162 0.74 BTK (0.80) BTKLCKLYNKDREGFR
SCHEMBL3787803 0.74 RET (0.62) BTKLCKLYNKDREGFR
SCHEMBL2360644 0.73 BTK (0.79) BTKLCKLYNKDREGFR
SCHEMBL19335172 0.73 BTK (0.79) BTKLCKLYNKDREGFR
SCHEMBL19335138 0.73 BTK (0.79) BTKLCKLYNKDREGFR
SCHEMBL22364036 0.73 BTK (0.79) BTKLCKLYNKDREGFR
SCHEMBL21540336 0.73 PIK3CD (0.56) BTKLCKLYNKDREGFR

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 2 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

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 BTK 3999/4885LCK 1980/4885LYN 2238/4885

“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.

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