SCHEMBL1069385

SCHEMBL1069385

COC(=O)CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.52
BMPR1B O00238 1/20 0.51
ADORA1 P30542 3/20 0.49
P2RY2 P41231 1/20 0.49
P2RY1 P47900 1/20 0.49
P2RY6 Q15077 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
DNPH1 O43598 1/20 0.49
ADORA3 P0DMS8 2/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
NPY1R P25929 1/20 0.48
HTT P42858 1/20 0.48
NPY2R P49146 1/20 0.48

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
SCHEMBL1069390 1.00 P2RY12 (0.52) P2RY12BMPR1BADORA1P2RY2P2RY1
SCHEMBL12963332 0.90 ADORA1 (0.58) P2RY12ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3791363 0.89 P2RY12 (0.55) P2RY12BMPR1BADORA1P2RY2P2RY1
SCHEMBL3791376 0.89 P2RY12 (0.55) P2RY12BMPR1BADORA1P2RY2P2RY1
SCHEMBL3802118 0.89 P2RY12 (0.53) P2RY12BMPR1BADORA1P2RY2P2RY1
SCHEMBL1069968 0.89 P2RY12 (0.53) P2RY12BMPR1BADORA1P2RY2P2RY1
SCHEMBL1070322 0.88 PRMT6 (0.47) P2RY12BMPR1BADORA1P2RY2P2RY1
SCHEMBL3802124 0.86 P2RY12 (0.54) P2RY12BMPR1BADORA1P2RY2P2RY1
SCHEMBL19841206 0.85 MEN1 (0.63) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL20454454 0.85 MEN1 (0.63) ADORA1ADORA3ADORA2AADORA2BLMNA

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
WO-2011005595-A2 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 WO disclosed
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 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 (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-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 P2RY12 4292/4885BMPR1B 3964/4885ADORA1 2126/4885

“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.