SCHEMBL3386216

SCHEMBL3386216

NC(=O)CCNc1nc(Nc2ccc3ncsc3c2)ncc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.50
TBK1 Q9UHD2 9/20 0.47
PDPK1 O15530 1/20 0.46
IKBKB O14920 2/20 0.45
CHUK O15111 2/20 0.45
ULK1 O75385 2/20 0.44
ULK2 Q8IYT8 2/20 0.44
MARK3 P27448 1/20 0.42
MARK4 Q96L34 1/20 0.42
STK17A Q9UEE5 1/20 0.42

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
Hydrochloric Acid SCHEMBL4056639 0.99 SYK (0.49) SYKTBK1PDPK1IKBKBCHUK
SCHEMBL3386224 0.86 STK17A (0.48) TBK1PDPK1STK17A
SCHEMBL3387324 0.85 SYK (0.56) SYKTBK1PDPK1ULK1ULK2
SCHEMBL13431795 0.83 TBK1 (0.69) TBK1PDPK1ULK1ULK2MARK3
SCHEMBL3388915 0.82 SYK (0.51) SYKTBK1PDPK1ULK1ULK2
SCHEMBL3386157 0.82 TBK1 (0.53) SYKTBK1PDPK1ULK1ULK2
SCHEMBL3384686 0.82 SYK (0.59) SYKTBK1PDPK1ULK1ULK2
SCHEMBL3386107 0.81 TBK1 (0.56) SYKTBK1PDPK1ULK1ULK2
SCHEMBL13431794 0.81 TBK1 (0.74) TBK1PDPK1ULK1ULK2MARK3
SCHEMBL3385954 0.81 TBK1 (0.53) SYKTBK1PDPK1ULK1ULK2

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 SYK 627/4885TBK1 2898/4885PDPK1 2468/4885

“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.