SCHEMBL1078772

SCHEMBL1078772

CCOC(=O)Cc1c(Cl)nc(N)nc1N(C)c1cc(C)nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
TSHR P16473 3/20 0.37
KDM4E B2RXH2 8/20 0.36
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL1077523 0.83 MAPK1 (0.37) MAPK1TSHRKDM4EHSD17B10TDP1
SCHEMBL1080377 0.80 MAPK1 (0.38) MAPK1TSHRKDM4EHSD17B10TDP1
SCHEMBL1079496 0.77 MAPK1 (0.37) MAPK1TSHRKDM4EHSD17B10TDP1
SCHEMBL1057583 0.77 MAPK1 (0.39) MAPK1TSHRKDM4EHSD17B10TDP1
SCHEMBL1078774 0.74 TSHR (0.36) MAPK1TSHRKDM4EHSD17B10TDP1
SCHEMBL1055154 0.74 MAPK1 (0.53) MAPK1TSHRKDM4EHSD17B10TDP1
SCHEMBL1059503 0.73 KDM4E (0.57) KDM4EL3MBTL1MEN1KMT2AHTT
SCHEMBL1058299 0.73 NPSR1 (0.39) MAPK1KDM4EMAPTMEN1KMT2A
SCHEMBL1054298 0.71 HSP90AA1 (0.40) MAPK1
SCHEMBL12651960 0.71 MAPK1 (0.57) MAPK1TSHRKDM4EHSD17B10TDP1

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-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 1938/4885TSHR 4861/4885KDM4E 3340/4885

“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.