SCHEMBL6414828

SCHEMBL6414828

CNCCn1c(C(N)=O)nc2cc(NCC(=O)c3ccccc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.45
JAK1 P23458 5/20 0.45
TYK2 P29597 5/20 0.45
JAK3 P52333 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
AGTR1 P30556 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.42
AKR1C3 P42330 1/20 0.41
RECQL P46063 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
GSK3B P49841 1/20 0.38
ITK Q08881 3/20 0.38
INSR P06213 1/20 0.38
F2 P00734 1/20 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
SCHEMBL6416908 0.88 ITK (0.47) ACHEAKR1C3ITKINSR
SCHEMBL6417112 0.87 PTGER4 (0.44) SMN1; SMN2ALDH1A1AGTR1GAAMAPT
SCHEMBL6415037 0.87 SMN1; SMN2 (0.39) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL6416231 0.85 ITK (0.44) SMN1; SMN2ALDH1A1AGTR1GAAMAPT
SCHEMBL6419529 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1AGTR1GAAMAPT
SCHEMBL6277030 0.85 RECQL (0.42) SMN1; SMN2ALDH1A1AGTR1GAAMAPT
SCHEMBL6273358 0.84 ACHE (0.43) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL6272346 0.83 ACHE (0.39) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL6272962 0.83 HDAC1 (0.43) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL6419625 0.82 KIF11 (0.47) SMN1; SMN2ALDH1A1AGTR1GAAMAPT

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 JAK2 270/4885JAK1 142/4885TYK2 5/4885

“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.