SCHEMBL14100321

SCHEMBL14100321

CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCc5cccc(CO)c5)s4)n3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.53
JAK3 P52333 3/20 0.53
JAK1 P23458 3/20 0.53
FLT3 P36888 6/20 0.52
CDK2 P24941 6/20 0.52
CCNE1 P24864 3/20 0.52
CDK1 P06493 3/20 0.52
CCNB1 P14635 3/20 0.52
CDK7 P50613 2/20 0.52
CCNH P51946 2/20 0.52
MNAT1 P51948 2/20 0.52
KIT P10721 2/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
PRKD3 O94806 1/20 0.49
LCK P06239 1/20 0.49
CSF1R P07333 1/20 0.49
ROS1 P08922 1/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49

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
SCHEMBL14100329 0.92 CDK2 (0.52) JAK2JAK3JAK1FLT3CDK2
SCHEMBL14100502 0.91 CDK2 (0.51) JAK2JAK3FLT3CDK2CCNE1
SCHEMBL14100355 0.91 CDK2 (0.51) JAK2JAK3JAK1FLT3CDK2
SCHEMBL14100325 0.90 CDK2 (0.50) JAK2JAK3JAK1FLT3CDK2
SCHEMBL14100359 0.90 PTK2 (0.58) JAK2JAK3JAK1FLT3CDK2
SCHEMBL14619443 0.90 CDK2 (0.50) JAK2JAK3JAK1FLT3CDK2
SCHEMBL14100354 0.90 CDK2 (0.50) JAK2JAK3FLT3CDK2CCNE1
SCHEMBL14100320 0.90 JAK2 (0.51) JAK2JAK3FLT3CDK2CCNE1
SCHEMBL14100315 0.90 CDK2 (0.49) JAK2JAK3JAK1FLT3CDK2
SCHEMBL14100330 0.90 FLT3 (0.49) JAK2JAK3JAK1FLT3CDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB JAK2 1688/4885JAK3 1221/4885JAK1 388/4885

“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.