SCHEMBL14650608

SCHEMBL14650608

Cc1n[nH]c(Nc2ccnc(Nc3cccc(S(=O)(=O)N4CCCC4)c3)n2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.50
JAK3 P52333 3/20 0.48
JAK2 O60674 3/20 0.48
EPHB4 P54760 7/20 0.47
LYN P07948 2/20 0.46
TXK P42681 2/20 0.46
SYK P43405 2/20 0.46
BTK Q06187 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45

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
SCHEMBL14650506 0.93 JAK2 (0.54) TNNI3KJAK3JAK2EPHB4MEN1
Hydrochloric Acid SCHEMBL14634953 0.92 JAK2 (0.54) TNNI3KJAK3JAK2EPHB4MEN1
SCHEMBL14650765 0.91 SYK (0.53) TNNI3KJAK3JAK2EPHB4LYN
Hydrochloric Acid SCHEMBL14634865 0.90 SYK (0.52) TNNI3KJAK3JAK2EPHB4LYN
SCHEMBL14650586 0.86 EPHB4 (0.61) TNNI3KJAK3JAK2EPHB4LYN
SCHEMBL14650757 0.84 TNNI3K (0.49) TNNI3KJAK3JAK2EPHB4LYN
SCHEMBL12334574 0.83 TNNI3K (0.53) TNNI3KJAK3JAK2EPHB4LYN
SCHEMBL14650618 0.83 TNNI3K (0.53) TNNI3KJAK3JAK2EPHB4LYN
SCHEMBL14650646 0.83 TNNI3K (0.48) TNNI3KJAK3JAK2EPHB4LYN
SCHEMBL14650492 0.83 TNNI3K (0.51) TNNI3KJAK3JAK2EPHB4LYN

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-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 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-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 TNNI3K 53/4885JAK3 107/4885JAK2 98/4885

“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.