SCHEMBL1815233

SCHEMBL1815233

COC(=O)c1ccccc1Nc1cc(C)nn1-c1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GFER P55789 1/20 0.56
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
ALOX15 P16050 1/20 0.47
MYC P01106 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NTRK1 P04629 2/20 0.46
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 4/20 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
SCHEMBL3305188 0.90 ALDH1A1 (0.55) HPGDALDH1A1GFERMAPTLMNA
SCHEMBL5096109 0.88 GFER (0.57) HPGDALDH1A1GFERMAPTLMNA
SCHEMBL3299182 0.88 ALDH1A1 (0.53) HPGDALDH1A1GFERMAPTLMNA
SCHEMBL3307066 0.87 GFER (0.46) HPGDALDH1A1GFERMAPTLMNA
SCHEMBL5008344 0.87 GFER (0.52) HPGDALDH1A1GFERMAPTLMNA
SCHEMBL1814087 0.85 HPGD (0.53) HPGDALDH1A1GFERMAPTHTT
SCHEMBL3307843 0.85 ALDH1A1 (0.53) HPGDALDH1A1GFERMAPTLMNA
SCHEMBL1819140 0.85 GFER (0.71) HPGDALDH1A1GFERMAPTLMNA
SCHEMBL1814489 0.83 ALDH1A1 (0.53) HPGDALDH1A1GFERMAPTLMNA
SCHEMBL3306639 0.83 HPGD (0.53) HPGDALDH1A1GFERMAPTHTT

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-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND 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 HPGD 194/4885ALDH1A1 260/4885GFER 730/4885

“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.