SCHEMBL1848702

SCHEMBL1848702

COC(=O)C12CC3C[C@H](C1)C(NCc1ccccc1)[C@@H](C3)C2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
EPHX2 P34913 2/20 0.46
HSD11B1 P28845 4/20 0.46
HSD11B2 P80365 3/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.44
P2RX7 Q99572 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL1848701 1.00 HPGD (0.51) HPGDEPHX2HSD11B1HSD11B2RECQL
SCHEMBL1848700 1.00 HPGD (0.51) HPGDEPHX2HSD11B1HSD11B2RECQL
SCHEMBL12578496 1.00 HPGD (0.51) HPGDEPHX2HSD11B1HSD11B2RECQL
SCHEMBL3123120 0.84 CYP17A1 (0.44) HPGDEPHX2HSD11B1HSD11B2RECQL
SCHEMBL12578289 0.81 CPB1 (0.49) EPHX2HSD11B1HSD11B2RECQLALDH1A1
SCHEMBL2837021 0.81 CPB1 (0.49) EPHX2HSD11B1HSD11B2RECQLALDH1A1
SCHEMBL2169834 0.81 CYP17A1 (0.45) HPGDEPHX2HSD11B1HSD11B2RECQL
SCHEMBL1844608 0.81 CPB1 (0.49) EPHX2HSD11B1HSD11B2RECQLALDH1A1
SCHEMBL75554 0.79 HSD11B1 (0.38) HPGDEPHX2HSD11B1HSD11B2RECQL
SCHEMBL12057037 0.77 EPHX2 (0.47) HPGDEPHX2HSD11B1MAPK1P2RX7

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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 EP 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 HPGD 3978/4885EPHX2 2166/4885HSD11B1 2713/4885

“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.