SCHEMBL3789116

SCHEMBL3789116

Nc1ncnc2c1c(-c1ccc(Cl)cc1)cn2CC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.56
LCK P06239 5/20 0.56
TEK Q02763 2/20 0.56
KDR P35968 1/20 0.56
BTK Q06187 10/20 0.53
ABL1 P00519 3/20 0.53
FYN P06241 2/20 0.50
YES1 P07947 2/20 0.50
LYN P07948 2/20 0.50
HCK P08631 2/20 0.50
FGR P09769 2/20 0.50
TXK P42681 2/20 0.50
BLK P51451 2/20 0.50
BMX P51813 2/20 0.50
CYP1A2 P05177 1/20 0.50
RET P07949 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL13020018 0.95 SRC (0.54) SRCLCKTEKKDRBTK
SCHEMBL22418481 0.90 BTK (0.55) SRCLCKTEKKDRBTK
SCHEMBL25911581 0.84 BTK (0.52) SRCLCKTEKBTKABL1
SCHEMBL20351778 0.82 SRC (0.51) SRCLCKTEKKDRBTK
SCHEMBL3662271 0.82 SRC (0.64) SRCLCKTEKKDRBTK
SCHEMBL20351579 0.81 BTK (0.54) SRCLCKTEKBTKABL1
SCHEMBL20182212 0.81 SRC (0.49) SRCLCKTEKKDRBTK
SCHEMBL13020349 0.81 SRC (0.69) SRCLCKTEKKDRBTK
SCHEMBL13020097 0.79 SRC (0.57) SRCLCKTEKKDRBTK
SCHEMBL13020112 0.79 SRC (0.58) SRCLCKTEKKDRABL1

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-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

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 SRC 1332/4885LCK 1980/4885TEK 4347/4885

“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.