SCHEMBL16587341

SCHEMBL16587341

CC[Si](CC)(CC)O[C@H]1[C@H](F)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.50
▸ ADORA1 P30542 5/20 0.49
▸ P2RY12 Q9H244 4/20 0.48
▸ LMNA P02545 2/20 0.47
▸ SLC29A1 Q99808 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL16587349 0.92 PRMT6 (0.49) PRMT6ADORA1P2RY12LMNA
SCHEMBL18520419 0.90 ADORA1 (0.51) PRMT6ADORA1P2RY12LMNASLC29A1
SCHEMBL25748743 0.90 ADORA1 (0.48) PRMT6ADORA1P2RY12LMNASLC29A1
SCHEMBL18490431 0.89 PRMT6 (0.47) PRMT6P2RY12
SCHEMBL16587338 0.89 P2RY12 (0.48) PRMT6P2RY12ADORA2AADORA2B
SCHEMBL13396711 0.89 PRMT6 (0.50) PRMT6ADORA1P2RY12LMNASLC29A1
SCHEMBL21750476 0.89 PRMT6 (0.50) PRMT6ADORA1P2RY12LMNASLC29A1
SCHEMBL21750474 0.89 PRMT6 (0.50) PRMT6ADORA1P2RY12LMNASLC29A1
SCHEMBL29665041 0.89 P2RY12 (0.51) PRMT6P2RY12
SCHEMBL21759021 0.88 P2RY12 (0.51) PRMT6ADORA1P2RY12LMNASLC29A1

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-20160340379-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS GILEAD SCIENCES, INC. 2016-11-24 — — US disclosed
US-9296779-B2 Processes and intermediates for preparing anti-HIV agents GILEAD SCIENCES, INC. (US) 2016-03-29 — — US disclosed
US-20150203525-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS GILEAD SCIENCES, INC. 2015-07-23 — — US disclosed
US-8987437-B2 Processes and intermediates for preparing anti-HIV Agents GILEAD SCIENCES, INC. (US) 2015-03-24 — — 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-20150203525-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS SAMHD1, DHPS, LSS PRMT6 1631/4885ADORA1 3543/4885P2RY12 3946/4885
US-20160340379-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS SAMHD1, DHPS, LSS PRMT6 1631/4885ADORA1 3543/4885P2RY12 3946/4885

“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