SCHEMBL10145898

SCHEMBL10145898

Cc1ccc2c(c1)CCCN2c1ncc(C(=O)N2CCOCC2)c(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.39
LRRK2 Q5S007 4/20 0.39
CNR2 P34972 2/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL541786 0.89 NR1H2 (0.42) NR1H2ALDH1A1HPGDLRRK2CNR2
SCHEMBL12796663 0.89 PRKDC (0.45) NR1H2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL541768 0.87 PRKDC (0.48) NR1H2ALDH1A1KDM4ELRRK2CNR2
SCHEMBL12796228 0.87 NR1H2 (0.43) NR1H2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13141753 0.87 NR1H2 (0.41) NR1H2ALDH1A1HPGDCNR2TSHR
SCHEMBL541540 0.86 SMN1; SMN2 (0.48) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2
SCHEMBL10145902 0.85 JUN (0.48) NR1H2HPGDCNR2CAMK1DTSHR
SCHEMBL10146157 0.84 NR1H2 (0.42) NR1H2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12796505 0.81 TSHR (0.48) NR1H2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10146174 0.79 NR1H2 (0.41) NR1H2LRRK2CNR2RORCLMNA

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
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 NR1H2 286/4885ALDH1A1 3897/4885KDM4E 2001/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 NR1H2 401/4885ALDH1A1 4050/4885KDM4E 2694/4885

“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.