SCHEMBL1057583

SCHEMBL1057583

CCOC(=O)Cc1c(Cl)nc(N)nc1N(C)c1cnc(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 9/20 0.36
TSHR P16473 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
CFTR P13569 1/20 0.32

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
SCHEMBL1080377 0.80 MAPK1 (0.38) MAPK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL1077523 0.79 MAPK1 (0.37) MAPK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL1058299 0.79 NPSR1 (0.39) MAPK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL1054298 0.77 HSP90AA1 (0.40) MAPK1
SCHEMBL1078772 0.77 MAPK1 (0.37) MAPK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL1059503 0.76 KDM4E (0.57) SMN1; SMN2KMT2AMEN1KDM4EHPGD
SCHEMBL1788256 0.75 CYP3A4 (0.38) MAPK1SMN1; SMN2KDM4ETSHRHPGD
SCHEMBL1055154 0.75 MAPK1 (0.53) MAPK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL1079496 0.74 MAPK1 (0.37) MAPK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL12651960 0.73 MAPK1 (0.57) MAPK1SMN1; SMN2KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102098918-A Bioactive compounds for treatment of cancer and neurodegenerative diseases PONIARD PHARMACEUTICALS INC 2011-06-15 CN disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 MAPK1 1938/4885SMN1; SMN2 11/4885KMT2A 3985/4885

“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.