SCHEMBL1817098

SCHEMBL1817098

COC(=O)c1ccccc1Nc1c(Br)c(C)nn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
HPGD P15428 3/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL1816999 0.86 ADORA1 (0.51) MAPTALOX15HPGDALDH1A1ADORA2B
SCHEMBL1815545 0.82 KDM4E (0.41) TDP1L3MBTL1MAPTALOX15HPGD
SCHEMBL3306670 0.82 ADORA1 (0.46) TDP1L3MBTL1MAPTALOX15HPGD
SCHEMBL1818960 0.82 KMT2A (0.42) L3MBTL1MAPTALOX15HPGDKMT2A
SCHEMBL1814345 0.82 TAS2R14 (0.43) MAPTALOX15HPGDALDH1A1ADORA2B
SCHEMBL3299197 0.81 ADORA1 (0.48) L3MBTL1MAPTALOX15HPGDALDH1A1
SCHEMBL1814785 0.81 ADORA1 (0.44) TDP1L3MBTL1MAPTALOX15HPGD
SCHEMBL3308263 0.81 ADORA1 (0.44) TDP1L3MBTL1MAPTALOX15HPGD
SCHEMBL1817101 0.76 SMN1; SMN2 (0.47) TDP1MAPTHPGDKMT2AALDH1A1
SCHEMBL1819140 0.76 GFER (0.71) TDP1L3MBTL1MAPTALOX15HPGD

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
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT TDP1 960/4885L3MBTL1 2170/4885MAPT 2724/4885

“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.