SCHEMBL16729520

SCHEMBL16729520

COc1cc(CF)cc(C(=O)N(C)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.40
DYRK1A Q13627 2/20 0.40
DYRK1B Q9Y463 1/20 0.40
MLYCD O95822 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B2 P37059 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MCHR1 Q99705 1/20 0.35
TACR1 P25103 1/20 0.35
ALOX5 P09917 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
CLK2 P49760 1/20 0.33
CALM1 P0DP23 1/20 0.33

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
SCHEMBL708366 0.84 CLK1 (0.47) CLK1DYRK1ADYRK1BMLYCDMEN1
SCHEMBL17204872 0.80 CLK1 (0.42) CLK1DYRK1ADYRK1BMLYCDABCG2
SCHEMBL1188757 0.77 MLYCD (0.43) CLK1DYRK1ADYRK1BMLYCDMEN1
SCHEMBL14174030 0.77 KMT2A (0.46) MLYCDMEN1KMT2AHSD17B2KDM4E
SCHEMBL5777011 0.76 CLK1 (0.42) CLK1DYRK1ADYRK1BMLYCDMEN1
SCHEMBL1189827 0.76 MLYCD (0.49) CLK1DYRK1ADYRK1BMLYCDTACR1
SCHEMBL31032795 0.73 CLK1 (0.40) CLK1DYRK1ADYRK1BMLYCDKMT2A
SCHEMBL307622 0.71 CES2 (0.62) CLK1DYRK1ADYRK1BMEN1KMT2A
SCHEMBL18304457 0.71 XDH (0.36) MLYCDKDM4EMAPT
SCHEMBL286256 0.70 CES2 (0.57) CLK1DYRK1ADYRK1BMLYCDHSD17B2

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-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 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-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 CLK1 3302/4885DYRK1A 1307/4885DYRK1B 2315/4885

“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.