SCHEMBL13020181

SCHEMBL13020181

CN1CCC(n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.72
NUDT14 O95848 2/20 0.72
NUDT5 Q9UKK9 2/20 0.72
SRC P12931 14/20 0.64
LCK P06239 7/20 0.64
CSK P41240 2/20 0.64
KDR P35968 11/20 0.62
TEK Q02763 3/20 0.62
EGFR P00533 11/20 0.59
ABL1 P00519 9/20 0.59
HCK P08631 9/20 0.59
LYN P07948 2/20 0.59
DAPK3 O43293 1/20 0.59
RIPK2 O43353 1/20 0.59
CYP1A2 P05177 1/20 0.59
FYN P06241 1/20 0.59
YES1 P07947 1/20 0.59
PDGFRB P09619 1/20 0.59
FGR P09769 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL13020182 0.93 BTK (0.64) BTKNUDT14NUDT5SRCLCK
SCHEMBL13020469 0.93 BTK (0.64) BTKNUDT14NUDT5SRCLCK
SCHEMBL3781592 0.93 BTK (0.64) BTKNUDT14NUDT5SRCLCK
SCHEMBL20351824 0.91 BTK (0.75) BTKNUDT14NUDT5SRCLCK
SCHEMBL3791532 0.88 SRC (0.61) BTKNUDT14NUDT5SRCLCK
SCHEMBL13019691 0.88 PIK3CD (0.72) BTKSRCLCKKDREGFR
SCHEMBL13019694 0.88 PIK3CD (0.72) BTKSRCLCKKDREGFR
SCHEMBL13020127 0.88 EGFR (0.59) BTKNUDT14NUDT5SRCLCK
SCHEMBL13020162 0.87 SRC (0.62) BTKNUDT14NUDT5SRCLCK
SCHEMBL13019673 0.87 PIK3CD (0.71) BTKSRCLCKKDREGFR

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
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 BTK 3999/4885NUDT14 1731/4885NUDT5 2328/4885

“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.