SCHEMBL13020127

SCHEMBL13020127

CC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.59
ERBB2 P04626 2/20 0.59
IGF1R P08069 2/20 0.59
ERBB3 P21860 2/20 0.59
ERBB4 Q15303 2/20 0.59
BTK Q06187 4/20 0.57
NUDT14 O95848 1/20 0.57
NUDT5 Q9UKK9 1/20 0.57
SRC P12931 14/20 0.56
KDR P35968 12/20 0.56
ABL1 P00519 10/20 0.56
HCK P08631 10/20 0.56
LCK P06239 6/20 0.56
LYN P07948 2/20 0.56
FYN P06241 2/20 0.56
DAPK3 O43293 1/20 0.56
RIPK2 O43353 1/20 0.56
CYP1A2 P05177 1/20 0.56
YES1 P07947 1/20 0.56
PDGFRB P09619 1/20 0.56

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
SCHEMBL3784297 0.89 SRC (0.58) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL13020181 0.88 BTK (0.72) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL13019691 0.85 PIK3CD (0.72) EGFRBTKSRCKDRABL1
SCHEMBL13019694 0.85 PIK3CD (0.72) EGFRBTKSRCKDRABL1
SCHEMBL24827785 0.85 BTK (0.80) EGFRERBB2ERBB4BTKNUDT14
SCHEMBL24197056 0.85 BTK (0.68) EGFRBTKNUDT14NUDT5SRC
SCHEMBL13020162 0.84 SRC (0.62) EGFRBTKNUDT14NUDT5SRC
SCHEMBL13019673 0.84 PIK3CD (0.71) EGFRBTKSRCKDRABL1
SCHEMBL24197168 0.84 BTK (0.67) EGFRBTKNUDT14NUDT5SRC
SCHEMBL13020182 0.84 BTK (0.64) EGFRERBB2IGF1RERBB3ERBB4

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 EGFR 3921/4885ERBB2 3221/4885IGF1R 3981/4885

“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.