SCHEMBL3386243

SCHEMBL3386243

NCCCNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 8/20 0.54
SYK P43405 2/20 0.54
PTK2 Q05397 9/20 0.51
STK17A Q9UEE5 4/20 0.49
STK17B O94768 3/20 0.49
BCL6 P41182 1/20 0.49
CHEK1 O14757 2/20 0.48
FLT3 P36888 2/20 0.48
ULK1 O75385 1/20 0.47
ULK2 Q8IYT8 1/20 0.47

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
SCHEMBL3386234 0.88 SYK (0.59) PTK2BSYKPTK2BCL6ULK1
SCHEMBL13431931 0.85 TBK1 (0.67) STK17AULK1ULK2
SCHEMBL5493564 0.84 PTK2B (0.75) PTK2BPTK2STK17ACHEK1FLT3
SCHEMBL3383778 0.82 STK17A (0.53) STK17ASTK17BCHEK1FLT3ULK1
SCHEMBL3389585 0.80 STK17A (0.48) STK17ASTK17BCHEK1FLT3ULK1
SCHEMBL3386164 0.80 STK17A (0.60) STK17ASTK17B
SCHEMBL3388268 0.79 SYK (0.52) SYKSTK17ASTK17B
SCHEMBL3387317 0.79 SYK (0.52) SYKSTK17ASTK17BULK1
Hydrochloric Acid SCHEMBL3386015 0.79 STK17A (0.48) STK17ASTK17BCHEK1FLT3ULK1
SCHEMBL3387331 0.78 STK17A (0.52) SYKSTK17ASTK17BULK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 PTK2B 456/4885SYK 627/4885PTK2 798/4885

“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.