SCHEMBL6413089

SCHEMBL6413089

NC(=O)c1nc2cc(NCC(=O)c3ccccc3)ccc2n1CCc1ncccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
JAK2 O60674 5/20 0.37
JAK1 P23458 5/20 0.37
TYK2 P29597 5/20 0.37
JAK3 P52333 5/20 0.37
STING1 Q86WV6 1/20 0.37
AKR1C3 P42330 1/20 0.36
ALPL P05186 1/20 0.36
ALPG P10696 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RECQL P46063 1/20 0.36
AGTR1 P30556 1/20 0.36

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
SCHEMBL6272962 0.86 HDAC1 (0.43) ACHEJAK2JAK1TYK2JAK3
SCHEMBL6275055 0.83 HDAC1 (0.46) ACHEJAK2JAK1TYK2JAK3
SCHEMBL6416908 0.82 ITK (0.47) ACHEAKR1C3ITK
SCHEMBL6420657 0.82 ALDH1A1 (0.39) ACHEJAK2JAK1TYK2JAK3
SCHEMBL6413096 0.81 ITK (0.51) ITK
SCHEMBL6414828 0.81 JAK2 (0.45) ACHEJAK2JAK1TYK2JAK3
SCHEMBL6417112 0.80 PTGER4 (0.44) ACHEAKR1C3ALDH1A1GAAMAPT
SCHEMBL6413981 0.80 POLB (0.38) ACHEJAK2JAK1TYK2JAK3
SCHEMBL6413787 0.79 ACHE (0.40) ACHEJAK2JAK1TYK2JAK3
SCHEMBL6419625 0.79 KIF11 (0.47) ACHEALDH1A1GAAMAPTSMN1; SMN2

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 ACHE 2029/4885JAK2 270/4885JAK1 142/4885

“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.