SCHEMBL14635487

SCHEMBL14635487

Cc1n[nH]c(Nc2ccnc(Nc3cccc(S(=O)(=O)NC4CCCC4)c3)n2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.52
SRC P12931 3/20 0.47
NEK1 Q96PY6 1/20 0.45
EPHB4 P54760 7/20 0.45
LYN P07948 2/20 0.44
TXK P42681 2/20 0.44
SYK P43405 2/20 0.44
BTK Q06187 1/20 0.44
BRD4 O60885 2/20 0.44
ABL1 P00519 1/20 0.44
YES1 P07947 1/20 0.44
HCK P08631 1/20 0.44
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41

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
SCHEMBL14650757 0.87 TNNI3K (0.49) TNNI3KSRCNEK1EPHB4LYN
SCHEMBL14650586 0.84 EPHB4 (0.61) TNNI3KEPHB4LYNTXKSYK
SCHEMBL14650608 0.83 TNNI3K (0.50) TNNI3KEPHB4LYNTXKSYK
SCHEMBL14634689 0.82 TNNI3K (0.52) TNNI3KEPHB4LYNTXKSYK
SCHEMBL14650618 0.81 TNNI3K (0.53) TNNI3KEPHB4LYNTXKSYK
SCHEMBL12334574 0.81 TNNI3K (0.53) TNNI3KEPHB4LYNTXKSYK
Hydrochloric Acid SCHEMBL14635136 0.81 TNNI3K (0.52) TNNI3KSRCEPHB4LYNTXK
SCHEMBL14650765 0.80 SYK (0.53) TNNI3KSRCEPHB4LYNTXK
Hydrochloric Acid SCHEMBL14634865 0.79 SYK (0.52) TNNI3KSRCEPHB4LYNTXK
SCHEMBL14650772 0.79 TNNI3K (0.50) TNNI3KSRCEPHB4LYNTXK

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 2 patents. 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
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 53/4885SRC 266/4885NEK1 84/4885

“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.