SCHEMBL12430867

SCHEMBL12430867

C=CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(OC(C)=O)C1OCCCC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.45
P2RY12 Q9H244 9/20 0.36
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
ADORA1 P30542 1/20 0.33

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
SCHEMBL2312781 0.92 PRMT6 (0.44) PRMT6P2RY12PRKAB2PRKAG1PRKAA2
SCHEMBL12851855 0.81 PRMT6 (0.46) PRMT6P2RY12PRKAB2PRKAG1PRKAA2
SCHEMBL12851647 0.81 PRMT6 (0.46) PRMT6P2RY12PRKAB2PRKAG1PRKAA2
SCHEMBL12386688 0.80 PRMT6 (0.51) PRMT6P2RY12PRKAB2PRKAG1PRKAA2
SCHEMBL15195613 0.79 AHCY (0.38) ADORA1
SCHEMBL17446884 0.79 PRMT6 (0.47) PRMT6P2RY12PRKAB2PRKAG1PRKAA2
SCHEMBL16648569 0.79 PRMT6 (0.42) PRMT6P2RY12PRKAB2PRKAG1PRKAA2
SCHEMBL16661549 0.79 PRMT6 (0.42) PRMT6P2RY12PRKAB2PRKAG1PRKAA2
SCHEMBL12429685 0.79 AHCY (0.44) ADORA1
SCHEMBL17000751 0.79 PRMT6 (0.48) PRMT6P2RY12PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513214-B2 C4′-substituted-2-deoxyadenosine analogs and methods of treating HIV THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-08-20 US disclosed
US-20110190226-A1 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV THE GOV. OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES 2011-08-04 US disclosed
WO-2009064387-A2 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV GOV'T OF THE U.S.A, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2009-05-22 WO 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-20110190226-A1 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV ADORA3, ADA, ADAR PRMT6 2164/4885P2RY12 266/4885PRKAB2 493/4885

“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.