SCHEMBL18181553

SCHEMBL18181553

CCOC(=O)c1cnc(Nc2ccc(N3CCOCC3)nc2)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
GAA P10253 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
MC4R P32245 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49
CLK1 P49759 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.47
TP53 P04637 2/20 0.47
PIK3CA P42336 1/20 0.46

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
SCHEMBL15349719 0.89 MAPT (0.62) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL15349379 0.81 LMNA (0.52) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL18181685 0.81 KDM4E (0.51) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL18181563 0.79 MAPT (0.51) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL18171846 0.79 EGFR (0.50) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL1014395 0.77 MAPT (0.74) MAPTGAATDP1L3MBTL1LMNA
SCHEMBL10782873 0.76 MAPT (0.61) MAPTGAASMN1; SMN2LMNAMAPK1
SCHEMBL15349377 0.76 KDM4E (0.49) MAPTGAATDP1L3MBTL1LMNA
SCHEMBL10787999 0.76 PDE4B (0.51) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL10781736 0.74 MAPT (0.54) MAPTGAASMN1; SMN2L3MBTL1LMNA

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-10364247-B2 Preparation and use of novel protein kinase inhibitors RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2019-07-30 US disclosed
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS BRANDEIS UNIVERSITY 2018-04-19 US disclosed
WO-2016168992-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2016-10-27 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 (2 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-10364247-B2 Preparation and use of novel protein kinase inhibitors MAP3K20, MAP3K19, MAP3K5 MAPT 2497/4885GAA 3242/4885SMN1; SMN2 3560/4885
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 MAPT 2497/4885GAA 3242/4885SMN1; SMN2 3560/4885

“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.