SCHEMBL1058836

SCHEMBL1058836

CCOC(=O)Cc1c(Cl)nc(N)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL27289016 0.87 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2MAPK1HPGDCYP1A2
SCHEMBL1059979 0.86 KDM4E (0.48) KDM4ESMN1; SMN2MAPK1HPGDHSD17B10
SCHEMBL1055154 0.85 MAPK1 (0.53) KDM4ESMN1; SMN2MAPK1HPGDHSD17B10
SCHEMBL12651960 0.82 MAPK1 (0.57) KDM4ESMN1; SMN2MAPK1HPGDCYP2C9
SCHEMBL8804535 0.74 HSD17B10 (0.43) KDM4ESMN1; SMN2MAPK1HPGDCYP1A2
SCHEMBL1748473 0.74 MAPK1 (0.46) KDM4EMAPK1HPGDHSD17B10ALDH1A1
SCHEMBL5844147 0.74 MAPK1 (0.46) KDM4EMAPK1HPGDCYP1A2CYP2C9
SCHEMBL17926536 0.74 MAPK1 (0.48) KDM4ESMN1; SMN2MAPK1HPGDHSD17B10
SCHEMBL1060382 0.72 MAPK1 (0.56) KDM4ESMN1; SMN2MAPK1HPGDHSD17B10
SCHEMBL1059503 0.72 KDM4E (0.57) KDM4ESMN1; SMN2HPGDCYP1A2ALDH1A1

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 7 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
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US 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
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 KDM4E 3340/4885SMN1; SMN2 11/4885MAPK1 1938/4885

“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.