SCHEMBL1688571

SCHEMBL1688571

CCOC(=O)C(CC(F)(F)F)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.57
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PIN1 Q13526 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
CES2 O00748 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MMP8 P22894 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
TBXAS1 P24557 2/20 0.36

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
SCHEMBL1068082 0.90 AAK1 (0.56) AAK1MEN1KMT2ANPC1POLB
SCHEMBL28269226 0.88 AAK1 (0.74) AAK1MEN1KMT2ANPC1POLB
SCHEMBL28269144 0.85 AAK1 (0.67) AAK1MEN1KMT2ANPC1POLB
SCHEMBL5928301 0.84 MEN1 (0.51) AAK1MEN1KMT2ANPC1POLB
SCHEMBL28269214 0.83 AAK1 (0.65) AAK1MEN1KMT2ANPC1POLB
SCHEMBL1224953 0.83 AAK1 (0.46) AAK1MEN1KMT2ANPC1POLB
SCHEMBL1224951 0.83 AAK1 (0.46) AAK1MEN1KMT2ANPC1POLB
SCHEMBL17005451 0.82 AAK1 (0.49) AAK1MEN1KMT2ANPC1POLB
SCHEMBL14493754 0.81 AAK1 (0.54) AAK1MEN1KMT2ANPC1POLB
SCHEMBL28269146 0.80 AAK1 (0.53) AAK1MEN1KMT2ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109280075-B Peptide amide compound, preparation method and medical application thereof 四川海思科制药有限公司 2022-05-20 CN disclosed
CN-109280075-A Peptide amide class compound and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2019-01-29 CN disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 WO disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 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 (5 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E AAK1 441/4885MEN1 4152/4885KMT2A 1570/4885
US-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H AAK1 505/4885MEN1 3607/4885KMT2A 1689/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E AAK1 404/4885MEN1 4103/4885KMT2A 1580/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E AAK1 353/4885MEN1 3894/4885KMT2A 1114/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E AAK1 404/4885MEN1 4103/4885KMT2A 1580/4885

“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.