SCHEMBL10244433

SCHEMBL10244433

CCCc1cccc(N2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.61
AGXT P21549 3/20 0.58
L3MBTL3 Q96JM7 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MBTD1 Q05BQ5 1/20 0.47
TP53BP1 Q12888 1/20 0.47
CHKA P35790 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD2 P14416 4/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL19601451 0.96 PRMT6 (0.57) PRMT6AGXTL3MBTL3L3MBTL1MBTD1
SCHEMBL8222798 0.86 AGXT (0.63) PRMT6AGXTL3MBTL3L3MBTL1DRD2
SCHEMBL166575 0.85 PRMT6 (0.65) PRMT6AGXTL3MBTL3L3MBTL1MBTD1
SCHEMBL8189516 0.85 AGXT (0.61) PRMT6AGXTL3MBTL3L3MBTL1MEN1
SCHEMBL8323984 0.85 AGXT (0.47) PRMT6AGXTL3MBTL3L3MBTL1DRD2
SCHEMBL4480384 0.84 PRMT6 (0.68) PRMT6AGXTL3MBTL3L3MBTL1MBTD1
SCHEMBL4806907 0.82 AGXT (0.58) PRMT6AGXTL3MBTL3L3MBTL1MBTD1
SCHEMBL19604155 0.81 PRMT6 (0.60) PRMT6AGXTL3MBTL3L3MBTL1MBTD1
SCHEMBL19364977 0.81 SIGMAR1 (0.47) AGXTDRD2DRD4DRD3
SCHEMBL4576036 0.81 PRMT6 (0.59) PRMT6AGXTL3MBTL3L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PRMT6 710/4885AGXT 2826/4885L3MBTL3 2106/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PRMT6 4271/4885AGXT 3766/4885L3MBTL3 1446/4885

“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.