SCHEMBL3307066

SCHEMBL3307066

CCc1ccc(Nc2cc(C)nn2-c2ccccc2C)c(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA1 P30542 6/20 0.42
TP53 P04637 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
STAT1 P42224 1/20 0.41
NTRK1 P04629 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 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
SCHEMBL5005410 0.89 MAPK14 (0.53) ALDH1A1KDM4ENPSR1ADORA1NTRK1
SCHEMBL1815233 0.87 HPGD (0.58) GFERALDH1A1HPGDLMNAMAPT
SCHEMBL5096109 0.86 GFER (0.57) GFERALDH1A1HPGDLMNAMAPT
SCHEMBL1836792 0.82 GFER (0.55) GFERALDH1A1HPGDADORA1NTRK1
SCHEMBL1817174 0.81 ADORA1 (0.50) ALDH1A1KDM4ENPSR1ADORA1
SCHEMBL5008408 0.81 MAPK14 (0.53) ALDH1A1HPGDNTRK1MAPK13MAPK12
SCHEMBL5007786 0.80 MAPK14 (0.57) ADORA1NTRK1MAPK13MAPK12MAPK11
SCHEMBL5005393 0.80 ADORA1 (0.47) ALDH1A1MAPTL3MBTL1KDM4EADORA1
SCHEMBL3307070 0.79 LMNA (0.46) GFERALDH1A1HPGDLMNAMAPT
SCHEMBL3305188 0.78 ALDH1A1 (0.55) GFERALDH1A1HPGDLMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GFER 730/4885ALDH1A1 260/4885HPGD 194/4885

“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.