SCHEMBL13020337

SCHEMBL13020337

Nc1ncnc2c1c(-c1ccc(Cl)cc1)cn2C1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.72
LCK P06239 3/20 0.72
TEK Q02763 2/20 0.72
EGFR P00533 9/20 0.69
ABL1 P00519 7/20 0.69
ABL2 P42684 7/20 0.69
FGR P09769 1/20 0.67
EPHA1 P21709 1/20 0.67
TXK P42681 1/20 0.67
FRK P42685 1/20 0.67
PTK6 Q13882 1/20 0.67
RIPK2 O43353 5/20 0.60
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
RGS12 O14924 1/20 0.57
NPC1 O15118 1/20 0.57
GMNN O75496 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL13020005 0.89 SRC (0.78) SRCLCKTEKEGFRABL1
SCHEMBL7020106 0.88 SRC (0.87) SRCLCKTEKEGFRABL1
Hydrochloric Acid SCHEMBL7098308 0.87 SRC (0.85) SRCLCKTEKEGFRABL1
SCHEMBL8098939 0.85 SRC (0.88) SRCLCKTEKEGFRABL1
SCHEMBL6465227 0.84 SRC (1.00) SRCLCKTEKEGFRABL1
Hydrochloric Acid SCHEMBL6465660 0.83 SRC (0.98) SRCLCKTEKEGFRABL1
SCHEMBL7019904 0.82 SRC (1.00) SRCLCKTEKEGFRABL1
SCHEMBL8114105 0.81 SRC (1.00) SRCLCKTEKEGFRABL1
SCHEMBL20351628 0.81 SRC (0.80) SRCLCKTEKEGFRABL1
Hydrochloric Acid SCHEMBL8107815 0.81 SRC (0.98) SRCLCKTEKEGFRABL1

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 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.