SCHEMBL6416849

SCHEMBL6416849

COCC(=O)N(C)c1ccc2c(c1)nc(C(N)=O)n2C[C@H](O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.42
ITK Q08881 15/20 0.40
INSR P06213 5/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TXK P42681 2/20 0.37

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
SCHEMBL6416855 1.00 STING1 (0.42) STING1ITKINSRMEN1KMT2A
SCHEMBL6416863 0.89 ALDH1A1 (0.41) STING1ITKINSRMEN1KMT2A
SCHEMBL6414426 0.86 ITK (0.54) ITKINSRTXK
SCHEMBL6264379 0.81 ITK (0.47) STING1ITKINSRTXK
SCHEMBL6414238 0.81 ITK (0.47) STING1ITKINSRTXK
SCHEMBL6277067 0.80 ITK (0.39) ITKINSR
SCHEMBL6414243 0.79 ITK (0.51) ITKINSRTXK
SCHEMBL6419603 0.79 ITK (0.51) ITKINSRTXK
SCHEMBL6275716 0.78 ITK (0.39) ITKINSRTXK
SCHEMBL6416820 0.78 ITK (0.41) ITKINSRMAPT

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-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK STING1 656/4885ITK 2/4885INSR 910/4885

“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.