SCHEMBL12416177

SCHEMBL12416177

[2H]C[C@H]1C=C[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](F)[C@@H]1OP(C)OCCC#N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.36
▸ ADORA1 P30542 5/20 0.33
▸ P2RY12 Q9H244 3/20 0.32
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ BMPR1B O00238 1/20 0.31

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
SCHEMBL769498 0.84 PRMT6 (0.36) PRMT6ADORA1P2RY12BMPR1B
SCHEMBL12416126 0.82 MAPT (0.31) —
SCHEMBL2695089 0.81 PRMT6 (0.38) PRMT6ADORA1P2RY12BMPR1B
SCHEMBL12416141 0.80 ADORA3 (0.40) ADORA1P2RY12ADORA3ADORA2AADORA2B
SCHEMBL26455123 0.74 P2RY12 (0.38) PRMT6ADORA1P2RY12ADORA3
SCHEMBL26435560 0.73 PRMT6 (0.41) PRMT6ADORA1P2RY12ADORA2AADORA2B
SCHEMBL12416153 0.73 PRMT6 (0.39) PRMT6P2RY12ADORA3BMPR1B
SCHEMBL12416136 0.73 TSHR (0.42) P2RY12ADORA3BMPR1B
SCHEMBL18503746 0.73 P2RY12 (0.38) PRMT6P2RY12
SCHEMBL20248724 0.73 PRMT6 (0.43) PRMT6ADORA1P2RY12BMPR1B

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-20140073786-A1 CYCLOHEXENYL NUCLEIC ACIDS ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-20110172294-A1 CYCLOHEXENYL NUCLEIC ACIDS ANALOGS IONIS PHARMACEUTICALS, INC. 2011-07-14 — — 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-20110172294-A1 CYCLOHEXENYL NUCLEIC ACIDS ANALOGS POLM, POLRMT, HNRNPM PRMT6 1063/4885ADORA1 2480/4885P2RY12 4715/4885
US-20140073786-A1 CYCLOHEXENYL NUCLEIC ACIDS ANALOGS POLM, POLRMT, HNRNPM PRMT6 1111/4885ADORA1 2713/4885P2RY12 4790/4885

“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.

Send feedback