SCHEMBL6413787

SCHEMBL6413787

NC(=O)c1nc2cc(NCC(=O)c3ccccc3)ccc2n1CCc1cccc(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
AKR1C3 P42330 1/20 0.39
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 4/20 0.37
JAK3 P52333 4/20 0.37
MAP3K7 O43318 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
AGTR1 P30556 1/20 0.36
GSK3B P49841 1/20 0.35
ITK Q08881 4/20 0.35
INSR P06213 2/20 0.35
ALPL P05186 1/20 0.34
ALPG P10696 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6417136 0.83 ACHE (0.39) ACHEAKR1C3JAK2JAK1TYK2
SCHEMBL6416908 0.82 ITK (0.47) ACHEAKR1C3ITKINSR
SCHEMBL6272962 0.81 HDAC1 (0.43) ACHEAKR1C3JAK2JAK1TYK2
SCHEMBL6413792 0.81 ITK (0.54) ITKINSR
SCHEMBL6414828 0.81 JAK2 (0.45) ACHEAKR1C3JAK2JAK1TYK2
SCHEMBL6273358 0.80 ACHE (0.43) ACHEAKR1C3JAK2JAK1TYK2
SCHEMBL6417112 0.80 PTGER4 (0.44) ACHEAKR1C3SMN1; SMN2ALDH1A1RECQL
SCHEMBL6275055 0.80 HDAC1 (0.46) ACHEAKR1C3JAK2JAK1TYK2
SCHEMBL6413965 0.79 ACHE (0.39) ACHEAKR1C3JAK2JAK1TYK2
SCHEMBL6419625 0.79 KIF11 (0.47) ACHESMN1; SMN2ALDH1A1RECQLGAA

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 2029/4885AKR1C3 1095/4885JAK2 270/4885

“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.