SCHEMBL2482870

SCHEMBL2482870

COc1cc(C(C)C)c(O)cc1I

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.44
P2RX2 Q9UBL9 12/20 0.44
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 2/20 0.41
LMNA P02545 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
G6PD P11413 1/20 0.39

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
SCHEMBL19364055 0.84 GAA (0.47) HTR2BLMNAG6PD
SCHEMBL1494173 0.82 CYP3A4 (0.41) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL15218613 0.82 LMNA (0.44) HTR2BLMNAG6PD
SCHEMBL1494397 0.78 LMNA (0.55) P2RX3P2RX2HTR2BCYP1A2CYP3A4
SCHEMBL4071229 0.78 P2RX3 (0.55) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL4662662 0.77 CYP3A4 (0.44) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL3921025 0.77 CYP3A4 (0.44) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL12462023 0.77 GAA (0.49) P2RX3P2RX2HTR2BCYP3A4TSHR
SCHEMBL1494155 0.77 P2RX3 (0.44) P2RX3P2RX2HTR2A
SCHEMBL12461058 0.77 LMNA (0.40) HTR2BCYP3A4LMNAG6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926716-B1 PROCESS FOR SYNTHESIS OF ARYLOXY DIAMINOPYRIMIDINES HOFFMANN LA ROCHE (CH) 2011-10-19 EP disclosed
EP-1926716-B1 PROCESS FOR SYNTHESIS OF ARYLOXY DIAMINOPYRIMIDINES HOFFMANN LA ROCHE (CH) 2011-10-19 EP disclosed
US-7741484-B2 Process for synthesis of phenoxy diaminopyrimidine derivatives ROCHE PALO ALTO LLC (US) 2010-06-22 US disclosed
US-7741484-B2 Process for synthesis of phenoxy diaminopyrimidine derivatives ROCHE PALO ALTO LLC (US) 2010-06-22 US disclosed
US-7741484-B2 Process for synthesis of phenoxy diaminopyrimidine derivatives ROCHE PALO ALTO LLC (US) 2010-06-22 US disclosed
WO-2008104474-A1 DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-04 WO disclosed
WO-2008104474-A1 DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-04 WO disclosed
US-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2008-08-28 US disclosed
US-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2008-08-28 US disclosed
US-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2008-08-28 US disclosed
EP-1926716-A1 PROCESS FOR SYNTHESIS OF ARYLOXY DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007025898-A1 PROCESS FOR SYNTHESIS OF ARYLOXY DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049751-A1 Process for synthesis of phenoxy diaminopyrimidine derivatives ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049751-A1 Process for synthesis of phenoxy diaminopyrimidine derivatives ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049751-A1 Process for synthesis of phenoxy diaminopyrimidine derivatives ROCHE PALO ALTO LLC 2007-03-01 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-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators P2RX3, P2RX2, P2RX6 P2RX3 1/4885P2RX2 2/4885HTR1A 112/4885
US-20070049751-A1 Process for synthesis of phenoxy diaminopyrimidine derivatives TPO, DPYD, DHPS P2RX3 2368/4885P2RX2 2113/4885HTR1A 2982/4885

“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.